data_2jr5_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 2jr5 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.535 0.207 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.505 ' OH ' HD12 ' A' ' 10' ' ' ILE . 0.5 OUTLIER 69.83 159.78 0.19 Allowed 'General case' 0 C--O 1.234 0.245 0 O-C-N 124.146 0.904 . . . . 0.0 112.259 174.653 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.1 p -136.95 155.27 49.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.486 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.9 -26.59 68.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.334 0.588 . . . . 0.0 109.832 173.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -61.34 -44.93 96.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.625 176.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.571 ' OE1' ' HD2' ' A' ' 9' ' ' ARG . 6.5 tp-100 -65.63 -37.72 87.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.498 177.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -59.99 -34.39 73.26 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.285 178.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.86 -36.87 85.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.045 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.571 ' HD2' ' OE1' ' A' ' 6' ' ' GLN . 80.2 mtt180 -63.58 -36.95 85.49 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.078 0.466 . . . . 0.0 110.111 178.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.505 HD12 ' OH ' ' A' ' 2' ' ' TYR . 62.8 mt -64.67 -44.66 96.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.305 177.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -55.67 -40.71 72.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.31 -178.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.0 m95 -72.7 -30.24 64.05 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.65 -34.8 24.96 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -171.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.0 p -66.76 -24.28 66.19 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.033 0.444 . . . . 0.0 111.232 -177.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.427 HH21 ' CG ' ' A' ' 22' ' ' ASP . 2.0 mmp_? -66.51 92.09 0.2 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.692 -178.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -103.65 -174.31 2.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.85 173.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.6 -4.86 90.18 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.163 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 22.7 ptp -118.9 132.9 56.11 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 176.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.2 mt -74.27 -24.93 59.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.736 -173.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -55.98 -41.64 75.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.759 -176.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.5 mt -73.8 -46.2 46.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.893 0.377 . . . . 0.0 110.729 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.427 ' CG ' HH21 ' A' ' 15' ' ' ARG . 22.8 t70 -61.66 -39.42 91.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.083 -177.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.6 p -74.4 -20.25 17.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.833 -176.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.6 m -99.93 10.34 7.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 121.057 0.455 . . . . 0.0 110.586 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 84.6 mt -120.46 -49.07 3.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.961 176.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.718 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 35.5 ttm -53.46 -56.01 29.01 Favored Pre-proline 0 CA--C 1.539 0.531 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -173.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.718 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 94.2 Cg_endo -89.79 -21.25 1.07 Allowed 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 121.868 1.712 . . . . 0.0 112.648 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.617 ' CE2' HG12 ' A' ' 77' ' ' ILE . 82.4 t80 -69.78 -37.02 76.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.769 -178.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -58.4 -34.89 71.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.599 177.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.431 ' OE2' ' HA ' ' A' ' 27' ' ' PRO . 31.0 mt-10 -57.7 -38.66 75.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.33 0.586 . . . . 0.0 110.443 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -85.01 -48.11 9.56 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.568 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 10.8 t -71.86 -22.6 61.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.812 -171.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -54.73 -35.65 63.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.131 0.491 . . . . 0.0 110.912 178.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -64.88 -27.83 69.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.009 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.8 t -102.25 -5.37 24.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.98 -176.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 73.3 mt -103.41 126.76 50.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.975 0.417 . . . . 0.0 111.566 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.401 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 22.3 p -90.02 164.83 14.36 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.164 175.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -56.53 -43.02 79.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.658 0.266 . . . . 0.0 111.038 -177.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.4 t -57.56 -42.02 82.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.055 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -70.79 -40.92 72.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.573 0.701 . . . . 0.0 109.887 177.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.471 ' O ' HG21 ' A' ' 45' ' ' VAL . 35.1 mt-30 -65.27 -35.49 81.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.82 -177.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.07 -46.7 89.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.019 0.437 . . . . 0.0 111.047 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -69.57 -32.1 70.67 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.823 -178.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.551 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 83.6 t80 -66.65 -49.34 66.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.726 176.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.471 HG21 ' O ' ' A' ' 41' ' ' GLN . 90.1 t -65.27 -36.7 78.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 110.745 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.97 -38.87 80.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.061 0.457 . . . . 0.0 110.918 176.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 22.8 tp -67.42 -38.54 84.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.665 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 44' ' ' PHE . 96.6 mt -60.48 -23.19 64.29 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -169.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -73.24 -14.78 61.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.001 0.429 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.8 m -116.55 -160.91 0.78 Allowed 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 176.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.447 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 33.1 m-20 -108.82 177.2 4.84 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 174.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.777 ' HB2' ' HB2' ' A' ' 55' ' ' LEU . 0.5 OUTLIER -123.49 63.79 27.19 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.592 -178.103 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.447 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 24.3 Cg_exo -62.73 -52.99 1.92 Allowed 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.321 2.014 . . . . 0.0 112.274 -177.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.404 ' O ' ' HD1' ' A' ' 58' ' ' TRP . 55.2 m-20 -69.3 -34.09 74.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.208 0.528 . . . . 0.0 110.146 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.777 ' HB2' ' HB2' ' A' ' 52' ' ' ASP . 67.4 mt -70.94 -38.33 72.86 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.17 -178.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -57.36 -37.15 72.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.481 0.657 . . . . 0.0 109.915 174.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.47 -26.53 64.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.298 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.404 ' HD1' ' O ' ' A' ' 54' ' ' ASP . 12.9 m95 -67.16 -35.99 80.87 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.904 0.383 . . . . 0.0 110.204 174.258 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 43.1 t -66.91 -31.48 53.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.446 177.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 92.4 mmm -89.06 -11.3 44.48 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.959 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.05 46.43 6.64 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.772 177.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -168.4 47.72 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -120.63 -179.65 16.28 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.338 -0.934 . . . . 0.0 113.472 -175.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -140.0 122.47 16.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.092 0.473 . . . . 0.0 110.657 178.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 49.0 t -142.66 108.51 5.15 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -79.94 -33.74 39.42 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.747 -173.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -86.85 96.75 10.32 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.647 0.737 . . . . 0.0 109.306 178.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.1 mt -67.33 -6.81 20.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.123 -174.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.45 -41.54 99.56 Favored Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 170.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.477 ' O ' ' HG3' ' A' ' 73' ' ' MET . 13.6 mt -71.67 -48.77 45.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.075 0.464 . . . . 0.0 110.465 174.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.74 -27.43 67.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.509 -178.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.3 -50.54 73.59 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.103 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.571 ' O ' HG13 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -72.12 -29.36 64.0 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.35 -178.042 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.617 HG22 HD21 ' A' ' 55' ' ' LEU . 96.5 t -63.85 -45.82 96.01 Favored 'Isoleucine or valine' 0 C--O 1.231 0.105 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 175.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -57.18 -41.68 79.77 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.49 177.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -65.85 -33.99 77.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.739 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.617 HG12 ' CE2' ' A' ' 28' ' ' PHE . 73.4 mt -69.09 -48.14 71.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.918 0.389 . . . . 0.0 110.371 174.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.54 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 95.2 t -58.95 -39.35 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.493 -177.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.63 -38.72 72.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.344 . . . . 0.0 111.31 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -72.6 -35.65 67.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.606 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -68.85 -35.69 77.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.172 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 81.3 mt -55.51 -33.73 64.0 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -178.034 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.687 ' HA ' ' HG2' ' A' ' 86' ' ' ARG . 62.5 p -73.67 -31.1 63.29 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.752 -179.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -65.83 -42.72 90.23 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 173.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.94 -43.16 92.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.938 -177.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.687 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 14.9 ptm180 -72.99 -24.88 60.82 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.188 -179.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.665 HD23 ' HG3' ' A' ' 88' ' ' GLU . 1.0 OUTLIER -77.01 -75.59 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.752 -178.71 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.665 ' HG3' HD23 ' A' ' 87' ' ' LEU . 42.6 mt-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.243 -176.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -137.24 119.26 15.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.998 0.428 . . . . 0.0 110.924 -176.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.6 p -99.15 -172.31 2.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.851 176.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.29 -30.69 70.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.067 0.461 . . . . 0.0 110.524 175.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -71.8 -41.18 68.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.392 178.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.532 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 17.6 mm-40 -69.64 -32.96 71.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.145 176.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -66.42 -34.03 77.05 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.832 177.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.569 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . . . -64.71 -40.53 95.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.913 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.532 ' HG2' ' O ' ' A' ' 6' ' ' GLN . 16.6 ptm180 -69.64 -28.97 66.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.083 0.468 . . . . 0.0 110.182 179.118 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 78.0 mt -74.19 -48.63 36.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.781 176.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.569 ' HG2' ' HA ' ' A' ' 8' ' ' ALA . 22.3 ptmt -62.3 -36.21 81.42 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.286 -178.073 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 16.7 m95 -72.3 -21.74 61.3 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.205 -0.309 . . . . 0.0 111.703 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.39 -49.4 11.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.706 0.288 . . . . 0.0 111.099 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.7 p -73.67 -46.42 46.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.922 0.391 . . . . 0.0 111.115 -178.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.478 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 28.0 ttm180 -81.58 169.0 17.6 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.478 ' HB2' ' O ' ' A' ' 15' ' ' ARG . 8.7 mpt_? 72.29 -56.61 0.64 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 122.893 0.477 . . . . 0.0 109.874 -172.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.97 -57.7 6.14 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 121.075 -0.583 . . . . 0.0 111.866 176.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.541 ' HB3' ' HB2' ' A' ' 21' ' ' LEU . 25.3 mmt -115.51 97.96 6.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.762 0.315 . . . . 0.0 110.976 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 72.1 mt -81.19 -25.89 36.41 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.979 0.419 . . . . 0.0 110.644 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -81.03 -31.8 34.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.981 178.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.541 ' HB2' ' HB3' ' A' ' 18' ' ' MET . 90.4 mt -94.49 -8.92 37.02 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -173.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -56.54 -38.37 71.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.295 0.569 . . . . 0.0 110.47 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.3 t -61.19 -28.06 43.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.695 -177.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.447 ' HA ' ' CD1' ' A' ' 28' ' ' PHE . 34.8 m -105.19 6.79 10.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.42 -177.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 21' ' ' LEU . 82.8 mt -112.47 -65.2 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.538 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 64.6 mtp -58.95 -54.4 56.81 Favored Pre-proline 0 N--CA 1.466 0.368 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -172.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -68.36 -34.85 19.87 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 121.424 1.416 . . . . 0.0 112.33 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.585 ' HZ ' ' HD3' ' A' ' 84' ' ' LYS . 48.0 m-85 -69.46 -36.93 77.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.204 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -61.76 -41.4 97.64 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 177.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.538 ' HG3' ' O ' ' A' ' 26' ' ' MET . 32.5 mt-10 -61.56 -35.32 77.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.63 0.729 . . . . 0.0 110.426 178.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -72.33 -51.52 20.31 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.027 177.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.628 ' HG ' HG12 ' A' ' 77' ' ' ILE . 85.6 m -74.79 -24.21 58.62 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -175.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -52.28 -37.32 55.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.113 0.482 . . . . 0.0 111.094 177.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -70.48 -31.68 68.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.213 177.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.1 t -99.48 5.82 46.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.269 -173.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 92.5 mt -117.29 154.48 31.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.875 0.369 . . . . 0.0 110.929 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 25.1 p -96.36 170.49 9.2 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 172.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -56.08 -41.23 74.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.834 0.35 . . . . 0.0 110.828 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.9 m -54.83 -49.15 71.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.393 178.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.8 -39.1 90.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.628 0.728 . . . . 0.0 110.112 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.431 ' O ' HG23 ' A' ' 45' ' ' VAL . 37.6 mt-30 -62.29 -39.59 93.47 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.577 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -62.47 -41.08 98.53 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.467 0.651 . . . . 0.0 110.734 177.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -64.55 -42.99 95.34 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.637 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -65.25 -45.98 82.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.295 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 41' ' ' GLN . 73.0 t -61.3 -36.95 76.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 110.865 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.52 -39.7 84.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.221 175.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.741 HD13 ' HE1' ' A' ' 73' ' ' MET . 10.6 mt -63.75 -35.58 81.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.873 178.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 98.5 mt -56.7 -35.81 68.92 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -177.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -86.54 -12.42 48.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.986 0.422 . . . . 0.0 111.435 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.0 m -87.79 -170.31 2.95 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.871 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.516 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 11.6 m-20 -91.25 169.79 10.53 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.247 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.559 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 15.2 p-10 -125.81 50.72 4.83 Favored Pre-proline 0 CA--C 1.539 0.546 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -174.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.559 ' HD3' ' N ' ' A' ' 52' ' ' ASP . 0.9 OUTLIER -84.68 -55.91 0.03 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.735 0 C-N-CA 121.673 1.582 . . . . 0.0 111.812 -179.026 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.496 ' O ' ' HD1' ' A' ' 58' ' ' TRP . 12.6 p-10 -70.5 -33.24 70.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.024 176.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.431 HD11 HD12 ' A' ' 47' ' ' LEU . 6.3 tt -58.89 -49.37 78.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.762 177.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -58.33 -39.91 80.71 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.511 178.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.28 -37.36 83.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.903 -176.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.496 ' HD1' ' O ' ' A' ' 54' ' ' ASP . 22.7 m95 -67.06 -41.56 86.23 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 120.726 0.298 . . . . 0.0 111.266 -179.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.505 ' HA ' HG23 ' A' ' 78' ' ' VAL . 48.6 t -65.67 -32.31 57.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.588 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 25.7 ttt -82.19 -21.62 36.36 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.191 -179.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.44 22.29 10.6 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.9 -0.667 . . . . 0.0 113.674 174.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 26.1 m80 -143.07 43.28 1.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 122.372 -0.487 . . . . 0.0 110.401 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.531 ' C ' ' HD2' ' A' ' 64' ' ' ARG . . . -119.05 146.85 18.39 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.027 -1.082 . . . . 0.0 113.782 -172.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.531 ' HD2' ' C ' ' A' ' 63' ' ' GLY . 4.8 mpt_? -126.52 144.02 51.01 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 170.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 15.3 t -129.41 160.82 31.92 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.218 -171.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -60.23 -49.75 76.36 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.896 177.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -127.05 133.9 50.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.398 -175.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 24.7 mt -75.84 -18.31 59.51 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -177.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.03 -41.29 97.91 Favored Glycine 0 N--CA 1.453 -0.195 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 173.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.462 HD22 HD11 ' A' ' 47' ' ' LEU . 16.8 mt -58.12 -49.35 77.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.446 0.641 . . . . 0.0 110.069 172.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.07 -26.49 68.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.743 -177.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.15 -51.99 66.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.728 0.299 . . . . 0.0 111.575 -178.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.741 ' HE1' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -73.62 -28.81 62.0 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.151 -178.744 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.469 ' O ' HG22 ' A' ' 78' ' ' VAL . 88.7 t -68.71 -37.42 77.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.104 0.478 . . . . 0.0 110.197 174.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -60.04 -37.88 81.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.979 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -65.06 -34.85 79.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.409 177.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.628 HG12 ' HG ' ' A' ' 32' ' ' CYS . 68.7 mt -67.98 -46.34 82.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.054 175.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.505 HG23 ' HA ' ' A' ' 59' ' ' VAL . 57.5 t -58.61 -46.52 90.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.83 179.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.93 -40.52 84.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.056 0.455 . . . . 0.0 111.257 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -67.91 -38.2 82.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.796 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.503 ' O ' HG23 ' A' ' 85' ' ' VAL . 64.2 t30 -69.86 -44.06 70.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.749 179.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.5 mt -56.75 -34.78 67.89 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 120.909 0.385 . . . . 0.0 111.284 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.614 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 23.7 m -66.65 -48.42 69.45 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.965 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.585 ' HD3' ' HZ ' ' A' ' 28' ' ' PHE . 12.2 ptmm? -69.16 -23.34 63.93 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.855 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 81' ' ' ASN . 72.5 t -75.99 -42.74 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.849 0.357 . . . . 0.0 110.271 176.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' A' ' 83' ' ' SER . 7.0 ptm180 -71.24 -20.92 62.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 -177.242 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' ' 83' ' ' SER . 76.3 mt -61.5 -44.08 97.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.958 176.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 . . . . . 0 N--CA 1.47 0.566 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 178.548 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -143.27 143.27 31.65 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.908 0.385 . . . . 0.0 111.461 -174.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.8 p -101.72 -176.49 3.15 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.648 174.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.23 -30.09 69.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.04 0.447 . . . . 0.0 110.447 176.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -64.06 -47.54 79.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.549 178.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -69.66 -35.78 75.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.566 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -61.02 -33.31 73.07 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.363 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.54 -41.79 86.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.911 0.386 . . . . 0.0 110.33 176.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -67.12 -36.43 81.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.079 0.466 . . . . 0.0 110.22 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.9 mt -64.34 -43.78 97.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.431 177.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.426 ' HZ3' ' CG ' ' A' ' 22' ' ' ASP . 55.4 tptt -57.93 -38.37 75.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.953 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -72.08 -27.45 62.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.009 177.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.402 ' O ' ' HD3' ' A' ' 16' ' ' ARG . . . -77.41 -10.48 59.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.41 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.477 ' HB3' ' HB2' ' A' ' 22' ' ' ASP . 80.6 m -70.19 -28.19 65.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.144 0.497 . . . . 0.0 110.605 175.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 -84.3 83.67 7.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.613 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.402 ' HD3' ' O ' ' A' ' 13' ' ' ALA . 1.4 mpt_? -113.12 -80.82 0.59 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.929 174.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -129.57 -11.59 2.67 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.286 -0.959 . . . . 0.0 112.622 175.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.528 ' HE2' ' HB2' ' A' ' 20' ' ' GLU . 11.8 tpt -138.98 99.17 3.7 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.768 -0.254 . . . . 0.0 111.142 -175.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 72.7 mt -63.92 -29.53 70.69 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.002 0.43 . . . . 0.0 111.213 179.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.528 ' HB2' ' HE2' ' A' ' 18' ' ' MET . 30.3 mt-10 -63.05 -19.26 64.22 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.489 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.499 ' O ' HG12 ' A' ' 25' ' ' ILE . 78.2 mt -72.85 -29.57 63.32 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-N 116.748 -0.205 . . . . 0.0 111.185 177.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.477 ' HB2' ' HB3' ' A' ' 14' ' ' CYS . 4.2 t70 -50.77 -38.72 49.62 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.088 0.471 . . . . 0.0 111.592 -177.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 38.5 t -71.02 -34.85 56.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.748 -177.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.416 ' HA ' ' CE1' ' A' ' 28' ' ' PHE . 35.2 m -102.51 2.37 10.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -173.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.499 HG12 ' O ' ' A' ' 21' ' ' LEU . 44.1 mm -105.28 -59.03 3.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.521 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.604 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 12.2 tmm? -61.32 -54.19 55.41 Favored Pre-proline 0 CA--C 1.54 0.573 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -171.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.604 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 22.5 Cg_exo -65.62 -33.15 46.31 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 121.793 1.662 . . . . 0.0 112.112 -177.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.416 ' CE1' ' HA ' ' A' ' 24' ' ' VAL . 1.5 m-85 -69.15 -36.09 77.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.081 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.551 ' HZ ' ' NE2' ' A' ' 41' ' ' GLN . 27.9 t80 -64.49 -37.32 87.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.963 177.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -58.47 -36.7 74.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.495 0.664 . . . . 0.0 110.462 178.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -76.02 -51.36 12.48 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.034 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.424 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 62.2 m -63.82 -30.99 72.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.779 0.323 . . . . 0.0 111.62 -177.124 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -54.6 -34.24 61.7 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 123.174 0.589 . . . . 0.0 111.439 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -55.93 -39.74 72.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.96 0.41 . . . . 0.0 111.007 177.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.1 m -95.5 -1.1 51.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.048 0.451 . . . . 0.0 111.233 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 96.5 mt -99.02 143.26 29.5 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.101 0.477 . . . . 0.0 110.763 176.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.3 p -86.89 169.81 12.19 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.181 175.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -55.57 -38.47 69.39 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.875 0.369 . . . . 0.0 111.261 177.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.5 m -58.33 -47.2 84.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.781 177.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.615 ' HB3' ' HE3' ' A' ' 73' ' ' MET . 37.8 mt-10 -70.9 -34.29 71.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.395 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.551 ' NE2' ' HZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -57.96 -41.29 82.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.268 175.143 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -65.51 -45.29 84.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.708 177.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -58.71 -41.02 85.33 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.509 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.565 ' HD2' ' HB3' ' A' ' 73' ' ' MET . 31.4 t80 -67.73 -44.9 76.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.945 -178.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.446 HG21 ' O ' ' A' ' 41' ' ' GLN . 97.6 t -60.81 -42.86 93.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.773 0.32 . . . . 0.0 110.45 178.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.96 -36.09 69.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.203 177.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.23 -45.01 93.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.991 178.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.6 mt -70.14 -25.78 63.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.225 -178.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -74.09 -14.18 60.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.046 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.4 t -96.03 -168.26 1.72 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 176.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.569 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 8.7 t70 -93.25 -178.59 4.81 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 179.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.536 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 23.9 p30 -122.43 50.29 2.6 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -176.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.569 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 1.1 Cg_endo -83.89 -56.72 0.03 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 121.76 1.64 . . . . 0.0 111.71 -179.133 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.47 ' O ' ' HD1' ' A' ' 58' ' ' TRP . 37.3 t70 -69.96 -36.42 75.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.177 177.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.0 tt -58.68 -45.37 89.58 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.072 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -57.83 -33.95 69.18 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 121.13 0.491 . . . . 0.0 110.327 177.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.78 -29.04 61.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.783 -178.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.579 ' HZ2' ' H ' ' A' ' 65' ' ' CYS . 31.8 m95 -70.0 -35.27 74.25 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.698 177.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 51.2 t -68.34 -29.63 44.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.407 178.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 67.5 mtm -85.85 -14.64 44.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.497 175.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.36 44.4 5.9 Favored Glycine 0 N--CA 1.45 -0.369 0 CA-C-N 115.904 -0.589 . . . . 0.0 113.195 175.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -158.91 32.49 0.21 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.997 0.398 . . . . 0.0 110.625 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.415 ' HA3' ' CD1' ' A' ' 58' ' ' TRP . . . -98.8 173.2 26.62 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.202 -179.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -155.02 93.9 1.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.304 0.573 . . . . 0.0 110.96 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.579 ' H ' ' HZ2' ' A' ' 58' ' ' TRP . 86.5 m -75.44 163.2 27.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.836 179.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -59.17 -46.21 89.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.123 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -134.92 154.94 51.49 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.183 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.3 mt -75.15 -17.23 60.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.37 -176.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.69 -46.97 88.51 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.013 174.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 89.2 mt -71.27 -31.69 67.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.065 0.459 . . . . 0.0 110.507 176.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.91 -30.93 69.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.221 -178.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.48 ' O ' ' HG3' ' A' ' 76' ' ' LYS . . . -61.15 -30.35 70.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.968 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.615 ' HE3' ' HB3' ' A' ' 40' ' ' GLU . 17.6 mmt -65.4 -47.29 76.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.743 178.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.401 ' O ' HG23 ' A' ' 78' ' ' VAL . 38.9 t -66.22 -37.94 80.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.133 177.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -54.39 -47.23 72.94 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.251 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 72' ' ' ALA . 88.3 mttt -67.34 -34.41 77.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.146 -178.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 82.6 mt -66.78 -48.42 79.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.083 175.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 74' ' ' VAL . 96.9 t -62.39 -36.8 76.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.935 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.61 -41.86 86.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.044 0.449 . . . . 0.0 110.889 177.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -71.73 -44.72 63.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.569 177.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.444 ' O ' HG21 ' A' ' 85' ' ' VAL . 57.9 t30 -64.54 -36.66 84.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.22 -177.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.1 tp -54.66 -38.79 67.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.131 0.491 . . . . 0.0 111.028 -178.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.586 ' HA ' ' HG2' ' A' ' 86' ' ' ARG . 10.5 t -67.9 -36.99 81.18 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.478 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -70.5 -31.29 68.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.111 0.482 . . . . 0.0 110.37 175.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.444 HG21 ' O ' ' A' ' 81' ' ' ASN . 75.4 t -68.79 -36.2 73.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.725 178.015 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.586 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 15.9 ptm180 -81.25 -30.2 34.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.365 177.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.2 tt -59.06 -52.82 64.12 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 174.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.023 173.695 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.6 ttm . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.462 0.172 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -62.44 118.72 7.9 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 178.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.513 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 30.2 p -71.72 167.27 20.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.182 0.515 . . . . 0.0 112.118 -173.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.23 96.33 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.321 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -62.38 -40.01 95.05 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.242 0.544 . . . . 0.0 109.661 178.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -69.62 -31.56 69.75 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.857 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' A' ' 3' ' ' THR . 60.2 mttp -61.97 -34.07 75.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.728 0.299 . . . . 0.0 110.968 176.395 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.27 -36.22 82.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.099 0.476 . . . . 0.0 110.545 177.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -67.31 -31.8 72.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.555 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 72.6 mt -64.76 -43.67 96.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.008 174.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.52 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 99.6 mttt -57.4 -41.64 80.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.586 176.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.7 m95 -63.85 -27.16 68.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.315 178.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.482 ' HB2' ' HB3' ' A' ' 48' ' ' LEU . . . -73.92 -36.85 64.73 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.868 0.366 . . . . 0.0 110.579 177.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 81.9 m -65.1 -25.79 67.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.289 0.566 . . . . 0.0 110.437 176.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.52 ' HG2' ' O ' ' A' ' 11' ' ' LYS . 15.3 mmt180 -75.83 -1.51 25.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.879 178.128 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.427 ' NE ' ' HA ' ' A' ' 16' ' ' ARG . 2.2 mmp_? -98.32 101.44 12.9 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 122.083 -0.386 . . . . 0.0 111.443 -174.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.14 -48.23 2.4 Favored Glycine 0 CA--C 1.52 0.349 0 CA-C-N 115.916 -0.584 . . . . 0.0 114.148 172.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.588 ' HB2' ' HB2' ' A' ' 21' ' ' LEU . 21.0 ptp -79.96 50.26 1.18 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.071 0.462 . . . . 0.0 111.465 -175.329 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.1 mt -53.84 -41.41 67.4 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -175.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -77.8 -20.81 52.61 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.357 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.588 ' HB2' ' HB2' ' A' ' 18' ' ' MET . 95.3 mt -86.25 -25.18 25.69 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.647 0.261 . . . . 0.0 110.348 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -52.58 -45.75 66.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.074 177.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.0 t -69.47 -28.4 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.234 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.525 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 60.9 t -85.99 -46.29 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.32 -176.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 80.5 mt -69.71 -33.86 58.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.671 -176.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.719 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 44.1 ttm -51.5 -53.97 44.16 Favored Pre-proline 0 CA--C 1.543 0.69 0 N-CA-C 113.067 0.765 . . . . 0.0 113.067 -175.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.719 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 12.7 Cg_exo -72.14 -29.68 14.22 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 121.935 1.757 . . . . 0.0 112.801 178.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.0 m-30 -68.24 -43.37 78.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.994 0.426 . . . . 0.0 110.08 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -56.57 -40.62 75.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.956 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -60.86 -41.95 96.92 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.914 0.388 . . . . 0.0 111.706 -176.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.403 ' HG3' ' HG ' ' A' ' 32' ' ' CYS . 9.8 pt-20 -85.62 -35.82 20.74 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.359 -0.382 . . . . 0.0 112.0 -178.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 73.7 m -80.58 -22.27 40.86 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -176.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.533 ' HA ' HD13 ' A' ' 36' ' ' LEU . 84.7 t80 -55.38 -35.09 64.91 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 -178.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -57.15 -36.58 70.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.028 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.3 m -96.73 -5.35 38.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.966 0.412 . . . . 0.0 110.987 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.533 HD13 ' HA ' ' A' ' 33' ' ' PHE . 71.6 mt -77.16 104.09 7.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.221 176.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.562 ' OG1' ' HG2' ' A' ' 40' ' ' GLU . 72.4 p -70.64 172.7 8.19 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 174.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -57.46 -38.06 73.88 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.248 0.547 . . . . 0.0 109.777 177.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.6 m -64.38 -48.72 74.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.605 177.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.562 ' HG2' ' OG1' ' A' ' 37' ' ' THR . 6.2 mm-40 -58.48 -42.98 88.76 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.626 0.727 . . . . 0.0 109.328 177.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.458 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -63.09 -39.69 95.45 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.298 178.309 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -64.2 -46.22 84.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.848 0.356 . . . . 0.0 110.904 -176.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.489 ' HB3' HD22 ' A' ' 70' ' ' LEU . 0.8 OUTLIER -60.04 -41.36 92.11 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.701 178.242 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.543 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 18.9 t80 -67.03 -45.06 78.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.798 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 41' ' ' GLN . 79.4 t -64.39 -40.55 89.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 120.567 0.222 . . . . 0.0 111.201 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.75 -39.44 84.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.356 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.508 ' HB3' ' OD2' ' A' ' 52' ' ' ASP . 9.6 mt -67.86 -49.84 59.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.05 177.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 44' ' ' PHE . 92.7 mt -56.42 -18.65 11.85 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.66 1.355 . . . . 0.0 114.66 -169.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -62.04 -49.78 74.65 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.43 -0.508 . . . . 0.0 111.824 -175.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.3 m -159.9 116.53 2.52 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.795 0.331 . . . . 0.0 111.399 176.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.7 t70 67.42 123.67 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 114.701 -1.136 . . . . 0.0 112.854 173.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.508 ' OD2' ' HB3' ' A' ' 47' ' ' LEU . 3.0 m-20 -118.01 78.13 12.84 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.885 -178.143 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -74.25 -44.25 0.45 Allowed 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.228 1.952 . . . . 0.0 112.025 -178.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.21 -44.67 92.27 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.263 0.554 . . . . 0.0 109.905 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.567 ' HG ' ' HE2' ' A' ' 73' ' ' MET . 0.6 OUTLIER -60.72 -49.91 75.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.139 179.774 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -60.28 -39.64 87.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.329 -177.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.98 -43.71 64.7 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -176.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 27.0 m95 -70.54 -29.59 66.1 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.53 -176.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 55' ' ' LEU . 78.1 t -69.45 -41.33 80.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 C-N-CA 121.228 -0.189 . . . . 0.0 111.103 178.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 18.3 ptp -77.51 -22.35 51.31 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.834 -178.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.5 30.7 6.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.426 178.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -131.52 42.49 3.18 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 178.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' ' 64' ' ' ARG . . . -84.37 -118.43 0.77 Allowed Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 114.969 -1.014 . . . . 0.0 114.321 -169.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 63' ' ' GLY . 55.4 mtt180 70.1 132.87 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.76 0.824 . . . . 0.0 109.755 -164.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 52.1 t -155.11 164.51 38.75 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.249 -173.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -77.38 -34.05 55.02 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.556 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.532 ' ND2' ' HG ' ' A' ' 70' ' ' LEU . 19.2 t30 -113.36 112.21 23.28 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.208 -177.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 24.6 mt -75.18 -14.2 60.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.606 -178.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -59.93 -38.85 94.75 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.279 174.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.532 ' HG ' ' ND2' ' A' ' 67' ' ' ASN . 96.1 mt -61.45 -43.38 98.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.239 0.542 . . . . 0.0 110.216 175.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.2 -31.26 69.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.529 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.87 -45.83 85.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.513 -177.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.754 ' HA ' ' HE2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -74.19 -28.51 61.31 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.103 179.837 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 70' ' ' LEU . 90.9 t -69.03 -39.92 80.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.646 0.26 . . . . 0.0 111.06 178.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -59.4 -34.69 72.76 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.982 0.42 . . . . 0.0 110.866 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.754 ' HE2' ' HA ' ' A' ' 73' ' ' MET . 40.5 mttm -62.44 -38.08 88.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.08 177.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 75.5 mt -68.63 -38.79 79.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.073 177.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.519 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 76.1 t -60.08 -42.55 90.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.532 178.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.79 -41.09 77.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.052 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -72.16 -39.87 68.4 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.966 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.519 ' ND2' ' HA ' ' A' ' 78' ' ' VAL . 8.0 p30 -67.32 -33.44 75.27 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.163 -178.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.3 tp -56.77 -38.32 72.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.35 0.595 . . . . 0.0 109.814 173.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.428 ' HA ' ' HG2' ' A' ' 86' ' ' ARG . 33.6 m -70.19 -31.15 68.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.708 177.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -66.51 -35.68 80.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.171 175.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.505 HG21 ' O ' ' A' ' 81' ' ' ASN . 59.3 t -69.24 -37.21 75.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.84 -179.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.428 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 30.0 ptt180 -79.11 -16.7 56.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.248 0.547 . . . . 0.0 110.789 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 52.5 tp -90.36 -48.19 7.28 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.637 175.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 85' ' ' VAL . 14.5 mt-10 . . . . . 0 C--N 1.332 -0.195 0 C-N-CA 123.744 0.818 . . . . 0.0 112.63 -177.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 tpt . . . . . 0 N--CA 1.482 1.165 0 CA-C-O 120.431 0.158 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.621 ' HA ' ' OE1' ' A' ' 6' ' ' GLN . 85.0 m-85 62.48 103.94 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.154 0.502 . . . . 0.0 111.144 -175.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.504 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 75.5 p -70.06 168.46 15.46 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.6 -177.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.47 -32.74 74.27 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.899 175.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -71.08 -40.38 71.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.345 176.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.621 ' OE1' ' HA ' ' A' ' 2' ' ' TYR . 58.8 tt0 -68.83 -29.7 68.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.927 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.504 ' HG2' ' O ' ' A' ' 3' ' ' THR . 38.1 mmtm -54.6 -31.99 57.96 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.504 176.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.31 -48.76 78.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.979 -174.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -62.39 -31.18 71.81 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.947 0.403 . . . . 0.0 111.096 -177.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.3 mt -69.9 -51.84 36.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.27 177.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -67.49 -39.09 85.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.74 -174.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 13.6 m95 -66.23 -23.25 66.39 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.716 0.294 . . . . 0.0 111.165 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.43 ' O ' ' HB3' ' A' ' 48' ' ' LEU . . . -112.03 25.08 11.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.909 0.385 . . . . 0.0 111.098 -175.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.6 t -64.17 -26.16 68.4 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.743 -178.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.8 mtp180 72.9 166.5 0.3 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.462 0.705 . . . . 0.0 111.482 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -147.43 17.42 1.17 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.39 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.88 -44.26 71.3 Favored Glycine 0 CA--C 1.522 0.521 0 CA-C-N 115.407 -0.815 . . . . 0.0 115.077 -171.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 15.7 tpt -149.22 128.22 12.69 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 117.699 0.75 . . . . 0.0 111.026 -171.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.439 ' O ' HG21 ' A' ' 23' ' ' VAL . 89.2 mt -56.34 -45.42 80.41 Favored 'General case' 0 C--N 1.332 -0.174 0 O-C-N 123.148 0.28 . . . . 0.0 111.719 -178.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -57.16 -30.4 64.44 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.708 0.29 . . . . 0.0 111.443 178.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.627 HD11 HG21 ' A' ' 59' ' ' VAL . 4.0 mm? -79.71 -55.53 4.94 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 176.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.32 -45.38 65.56 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.668 -176.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.512 HG23 HG11 ' A' ' 24' ' ' VAL . 34.0 m -70.57 -21.29 22.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -173.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.53 HG22 ' HB2' ' A' ' 81' ' ' ASN . 32.5 m -107.58 3.67 9.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.456 -0.498 . . . . 0.0 111.826 -177.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 21' ' ' LEU . 70.7 mt -103.84 -53.08 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 179.128 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.497 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 1.3 tmt? -56.64 -54.69 51.07 Favored Pre-proline 0 CA--C 1.54 0.588 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -171.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.497 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 58.7 Cg_endo -74.11 -25.87 13.39 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 121.492 1.462 . . . . 0.0 111.989 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.57 ' HZ ' ' HB3' ' A' ' 76' ' ' LYS . 78.6 t80 -69.32 -36.19 76.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.549 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -58.37 -38.87 78.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.879 0.371 . . . . 0.0 110.003 176.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -65.3 -41.63 93.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.502 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -70.6 -52.02 24.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.463 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.5 t -74.86 -20.8 59.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.199 -170.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -55.58 -36.04 66.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.96 0.409 . . . . 0.0 110.753 176.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -62.52 -32.32 73.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.254 177.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.1 t -92.68 -35.42 13.5 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.106 -176.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 78.7 mt -83.92 171.16 13.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.628 0.728 . . . . 0.0 111.868 -174.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.1 p -119.06 168.43 10.84 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.803 174.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -60.83 -33.79 73.57 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -177.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.4 m -54.9 -44.42 74.14 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.035 0.445 . . . . 0.0 110.887 175.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -71.71 -41.83 68.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.385 0.612 . . . . 0.0 110.31 177.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.516 ' O ' HG23 ' A' ' 45' ' ' VAL . 48.1 mt-30 -62.7 -37.87 88.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.399 -178.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -56.89 -45.79 82.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.192 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -62.48 -40.17 95.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.028 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.4 ' HA ' ' HE3' ' A' ' 73' ' ' MET . 82.2 t80 -65.47 -44.37 87.4 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.113 176.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 41' ' ' GLN . 93.0 t -63.32 -45.62 97.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.1 -179.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.36 -34.29 73.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.969 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.49 HD23 ' HE1' ' A' ' 73' ' ' MET . 33.7 tp -62.91 -40.86 98.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.632 177.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.43 ' HB3' ' O ' ' A' ' 13' ' ' ALA . 89.6 mt -59.54 -33.02 70.87 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.295 0.479 . . . . 0.0 112.295 -173.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -78.07 -14.52 59.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.233 0.539 . . . . 0.0 110.592 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.4 t -97.68 -154.72 0.46 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.427 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 1.4 t0 -123.14 171.79 9.05 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 177.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.499 ' O ' ' HB2' ' A' ' 56' ' ' PHE . 8.0 m-20 -124.5 66.62 45.94 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.979 -173.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.427 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 4.8 Cg_exo -76.38 -56.46 0.05 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.906 1.738 . . . . 0.0 111.832 -177.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.499 ' O ' ' HD1' ' A' ' 58' ' ' TRP . 5.7 p-10 -70.47 -41.09 73.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.777 178.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.515 HD23 HG21 ' A' ' 74' ' ' VAL . 91.1 mt -65.58 -36.96 85.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.874 -176.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.499 ' HB2' ' O ' ' A' ' 52' ' ' ASP . 32.8 t80 -56.58 -36.99 69.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.252 0.549 . . . . 0.0 110.044 173.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 62' ' ' HIS . . . -71.35 -31.2 67.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.172 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.499 ' HD1' ' O ' ' A' ' 54' ' ' ASP . 22.7 m95 -63.31 -45.29 92.04 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.822 0.344 . . . . 0.0 110.531 176.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.627 HG21 HD11 ' A' ' 21' ' ' LEU . 40.2 t -63.21 -37.68 80.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.295 0.569 . . . . 0.0 110.342 178.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.2 mmt -79.14 -7.67 58.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.215 179.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.6 26.28 43.24 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.314 -0.47 . . . . 0.0 113.821 171.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.539 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 2.3 m-70 -154.66 83.16 1.1 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 117.191 0.495 . . . . 0.0 111.528 179.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 174.14 151.71 8.5 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 119.622 -1.275 . . . . 0.0 113.349 176.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 45.6 mtm180 -103.44 175.06 5.6 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 174.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 21.0 t -125.99 156.02 40.5 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.583 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -68.46 -43.76 76.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.059 0.457 . . . . 0.0 110.084 177.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -140.2 128.91 23.09 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.134 178.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 58.6 mt -73.81 -11.25 60.32 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -169.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.86 -47.69 84.37 Favored Glycine 0 C--N 1.324 -0.127 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.836 176.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.419 ' O ' HG22 ' A' ' 74' ' ' VAL . 74.0 mt -63.88 -47.21 81.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.071 0.463 . . . . 0.0 110.154 175.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.62 -28.41 68.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.074 -177.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.19 -50.84 70.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.691 0.282 . . . . 0.0 111.393 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.49 ' HE1' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -73.85 -28.05 61.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.747 0.308 . . . . 0.0 110.725 179.373 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.515 HG21 HD23 ' A' ' 55' ' ' LEU . 73.7 t -65.92 -36.64 78.0 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.353 174.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -54.84 -41.99 71.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.596 177.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.571 ' HE2' ' HA ' ' A' ' 76' ' ' LYS . 8.2 mmpt? -58.97 -40.01 83.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.693 177.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.8 mt -69.97 -46.96 71.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.525 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.513 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 93.1 t -60.53 -43.87 95.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.832 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.98 -35.45 75.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.908 0.385 . . . . 0.0 110.806 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -71.27 -36.47 71.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.034 0.445 . . . . 0.0 109.875 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.53 ' HB2' HG22 ' A' ' 24' ' ' VAL . 21.1 t-20 -67.85 -39.39 83.81 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.807 177.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 89.4 mt -55.84 -33.12 64.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.474 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.458 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 32.0 m -66.01 -47.26 75.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.576 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.44 ' HE2' ' HB2' ' A' ' 84' ' ' LYS . 6.2 ptmm? -69.98 -26.03 63.89 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.263 178.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 53.2 t -73.44 -46.13 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.74 177.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' A' ' 83' ' ' SER . 36.4 ptt180 -69.69 -19.36 63.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.633 -179.101 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.6 tp -74.35 -23.41 59.02 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.515 177.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 . . . . . 0 N--CA 1.468 0.441 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.353 178.169 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.478 0.97 0 CA-C-O 120.905 0.383 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -133.4 99.96 4.68 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 176.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.524 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 24.5 p -85.74 -178.64 6.67 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.177 -176.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.04 -39.72 72.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.699 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -60.9 -44.5 97.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.974 0.416 . . . . 0.0 110.641 178.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -69.64 -32.01 70.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 3' ' ' THR . 34.5 mmtp -56.54 -41.36 76.67 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.023 0.439 . . . . 0.0 110.366 177.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.03 -45.07 74.96 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.439 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -61.96 -41.36 97.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.934 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 87.6 mt -64.23 -45.6 95.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.584 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.61 ' HA ' ' SG ' ' A' ' 14' ' ' CYS . 54.6 mtmt -66.3 -35.38 80.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.294 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.6 m0 -60.39 -33.88 73.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.661 174.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.412 ' O ' ' HB3' ' A' ' 48' ' ' LEU . . . -92.38 -2.29 56.45 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.327 -0.397 . . . . 0.0 112.064 -177.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.61 ' SG ' ' HA ' ' A' ' 11' ' ' LYS . 84.4 m -70.83 -24.89 62.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.408 0.623 . . . . 0.0 110.366 177.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 15' ' ' ARG . 56.0 mtt180 -91.83 -164.63 1.21 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.906 179.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 75.5 142.38 0.07 Allowed 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.612 0.57 . . . . 0.0 110.096 -178.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.68 -63.22 4.49 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.974 177.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.599 ' SD ' ' HG ' ' A' ' 21' ' ' LEU . 18.2 ttt -131.83 127.39 36.5 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.136 0.493 . . . . 0.0 111.638 -174.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.6 mt -75.65 -37.89 59.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.345 -176.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.467 ' HB2' ' HE3' ' A' ' 18' ' ' MET . 6.8 mp0 -64.92 -27.92 69.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 0.0 110.722 179.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.599 ' HG ' ' SD ' ' A' ' 18' ' ' MET . 20.8 mt -68.64 -39.15 80.86 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.75 179.151 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.84 -45.48 59.73 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.241 -0.436 . . . . 0.0 112.015 179.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.3 m -83.72 -10.6 11.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -173.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.7 m -110.53 -33.76 2.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -177.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 68.5 mt -63.77 -41.93 94.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -176.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.648 ' HB2' ' HD3' ' A' ' 27' ' ' PRO . 72.5 mtm -61.78 -53.94 55.92 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-O 119.388 -0.339 . . . . 0.0 111.657 -178.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.648 ' HD3' ' HB2' ' A' ' 26' ' ' MET . 46.0 Cg_exo -58.72 -41.47 63.12 Favored 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 122.151 1.901 . . . . 0.0 112.627 176.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -64.82 -37.06 86.34 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.78 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -61.49 -43.82 98.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.368 177.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' ' 26' ' ' MET . 26.6 mt-10 -56.28 -41.09 75.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.294 0.569 . . . . 0.0 110.686 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -74.7 -51.39 14.42 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.798 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 58.0 m -77.23 -22.97 51.43 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -170.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -54.35 -39.12 66.81 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.777 0.322 . . . . 0.0 111.498 -178.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -69.73 -22.37 63.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.615 -178.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.9 m -99.58 -34.62 10.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.795 -175.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.9 mt -76.79 139.72 40.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.13 0.49 . . . . 0.0 111.843 -173.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.2 p -85.69 174.53 9.32 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.925 173.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -56.83 -46.99 81.32 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 111.476 0.176 . . . . 0.0 111.476 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.8 m -58.78 -45.24 90.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.742 0.306 . . . . 0.0 111.259 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.428 ' HB3' ' SD ' ' A' ' 73' ' ' MET . 44.8 mt-10 -65.34 -42.88 92.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.427 0.632 . . . . 0.0 110.151 177.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.434 ' O ' HG21 ' A' ' 45' ' ' VAL . 35.6 mt-30 -60.25 -40.3 89.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.333 177.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -61.2 -46.14 91.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.605 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.423 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 2.1 m-20 -67.49 -32.55 73.44 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.727 178.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -63.98 -45.7 87.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.26 177.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.434 HG21 ' O ' ' A' ' 41' ' ' GLN . 74.1 t -64.78 -41.05 91.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.167 177.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.43 -33.1 70.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.562 176.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 43' ' ' ASP . 72.2 mt -65.65 -38.17 88.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.034 177.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 14' ' ' CYS . 88.1 mt -66.44 -27.38 67.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.255 0.55 . . . . 0.0 110.978 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -76.17 -13.71 60.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.937 177.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.4 m -102.02 171.33 7.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.195 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.632 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 0.7 OUTLIER -79.5 -169.34 1.87 Allowed 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 176.061 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.567 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 5.6 p-10 -116.02 48.11 0.59 Allowed Pre-proline 0 CA--C 1.545 0.776 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -175.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.632 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 7.0 Cg_endo -89.51 -49.1 0.03 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 121.539 1.493 . . . . 0.0 111.326 177.14 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.473 ' H ' ' HD2' ' A' ' 53' ' ' PRO . 6.4 m-20 -66.45 -39.56 88.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.363 177.174 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.478 ' O ' HG21 ' A' ' 59' ' ' VAL . 95.9 mt -60.99 -50.39 73.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.516 179.229 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -58.85 -46.3 88.07 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.473 0.654 . . . . 0.0 110.786 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.97 -35.97 77.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.704 -172.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -75.98 -30.75 58.7 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.726 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.478 HG21 ' O ' ' A' ' 55' ' ' LEU . 69.9 t -66.12 -40.36 86.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.622 0.249 . . . . 0.0 110.58 176.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.8 ptm -78.82 -21.25 47.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.039 0.447 . . . . 0.0 110.306 177.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.05 35.04 10.09 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.984 176.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -128.18 -3.09 5.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.107 0.48 . . . . 0.0 110.639 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -94.78 160.71 23.44 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.291 -0.957 . . . . 0.0 112.616 -176.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -129.02 140.58 51.56 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 49.7 t -149.67 122.43 8.67 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 177.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -67.08 -33.29 75.18 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.033 -175.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -82.61 95.49 7.8 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 50.0 mt -72.11 -14.5 61.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.901 -178.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.82 -47.14 92.7 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 169.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 66.6 mt -62.47 -41.37 98.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.232 0.539 . . . . 0.0 110.326 174.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.07 -24.41 66.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.828 -178.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.482 ' O ' ' HG2' ' A' ' 76' ' ' LYS . . . -57.44 -50.34 73.34 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.249 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.428 ' SD ' ' HB3' ' A' ' 40' ' ' GLU . 2.9 mpp? -68.98 -30.1 68.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.737 0.303 . . . . 0.0 110.948 179.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.478 ' O ' HG22 ' A' ' 78' ' ' VAL . 58.2 t -65.37 -42.55 93.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 176.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -58.89 -38.49 78.97 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.867 178.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 25.7 mmmt -59.49 -40.86 88.38 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.824 177.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 73.4 mt -71.26 -46.38 65.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.691 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.647 ' HA ' ' OD1' ' A' ' 81' ' ' ASN . 89.6 t -55.53 -47.32 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.397 -178.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.35 -38.59 80.76 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.125 0.488 . . . . 0.0 110.843 179.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -71.73 -46.88 57.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.938 -177.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.647 ' OD1' ' HA ' ' A' ' 78' ' ' VAL . 1.2 p-10 -70.81 -39.63 72.97 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.272 -176.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.424 HD21 ' HA ' ' A' ' 82' ' ' LEU . 23.4 mt -61.78 -32.29 72.55 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.769 0.318 . . . . 0.0 111.025 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.4 t -64.22 -46.54 83.41 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.785 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 81' ' ' ASN . 14.4 ptmm? -70.04 -25.91 63.78 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.554 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 81' ' ' ASN . 70.2 t -70.24 -38.91 76.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.063 0.459 . . . . 0.0 110.072 178.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -34.65 72.95 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.256 174.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 57.2 tp -66.78 -60.97 2.21 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.391 -178.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -179.683 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.959 0.409 . . . . 0.0 110.763 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.593 ' CD1' ' HG2' ' A' ' 6' ' ' GLN . 23.2 m-85 -107.81 124.29 49.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.064 177.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.8 p -111.01 -165.74 1.02 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.823 -176.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.32 -31.18 70.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.595 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.24 -42.09 94.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.065 0.46 . . . . 0.0 110.069 176.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.593 ' HG2' ' CD1' ' A' ' 2' ' ' TYR . 2.5 mp0 -69.21 -38.03 78.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.156 177.238 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.402 ' HB3' ' HE2' ' A' ' 7' ' ' LYS . 43.4 mtpt -61.47 -34.37 75.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.889 176.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.441 ' O ' ' HD1' ' A' ' 12' ' ' TRP . . . -62.63 -41.73 99.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.746 0.308 . . . . 0.0 110.932 178.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -62.45 -36.09 81.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.146 0.498 . . . . 0.0 109.719 178.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.2 mt -70.81 -42.61 77.45 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.449 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.216 176.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.6 tptt -52.58 -38.32 59.77 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.589 0.756 . . . . 0.0 112.084 -177.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.441 ' HD1' ' O ' ' A' ' 8' ' ' ALA . 38.8 m95 -72.1 -28.43 63.29 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.63 3.31 12.37 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -172.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 23.3 p -70.02 -26.8 64.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.809 0.338 . . . . 0.0 111.215 -175.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.5 ptt-85 -87.99 -3.17 58.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.396 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 56.62 -86.02 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 O-C-N 123.999 0.812 . . . . 0.0 110.966 -177.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.7 17.22 0.17 Allowed Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 175.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 44.7 tpp -136.98 118.01 14.32 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -174.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.7 mp -66.97 -23.26 65.93 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.082 -176.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -66.4 -24.21 66.43 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.826 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.1 mt -99.03 -18.13 17.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.817 -174.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -55.67 -44.42 77.24 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.069 0.461 . . . . 0.0 111.04 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.9 m -76.59 -14.93 14.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.652 -0.703 . . . . 0.0 112.609 -174.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.2 p -101.97 -21.2 5.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.021 -178.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 73.1 mt -94.46 -60.91 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.595 -178.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.599 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 28.3 ttt -66.36 -53.26 32.04 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 113.315 0.858 . . . . 0.0 113.315 -169.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.599 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 52.4 Cg_exo -57.17 -42.31 64.64 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.904 1.736 . . . . 0.0 112.444 -178.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -69.07 -36.62 77.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.526 178.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -62.96 -43.62 98.3 Favored 'General case' 0 C--O 1.214 -0.813 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.569 176.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -63.61 -34.55 78.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.139 0.495 . . . . 0.0 111.117 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -66.5 -51.51 55.89 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.972 176.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.495 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 33.4 m -75.81 -23.76 55.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.545 -176.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -54.86 -36.68 65.34 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 123.665 0.786 . . . . 0.0 111.853 -177.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -66.39 -22.51 66.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.043 0.449 . . . . 0.0 110.893 -178.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.3 t -101.02 -34.62 9.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.028 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 96.8 mt -65.79 152.96 43.17 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.278 0.561 . . . . 0.0 112.053 -176.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.0 p -104.66 173.81 6.15 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.051 176.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -60.7 -37.22 80.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.593 0.235 . . . . 0.0 111.17 -178.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.9 m -57.58 -41.32 80.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.887 0.375 . . . . 0.0 110.729 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -69.96 -47.51 62.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.52 0.676 . . . . 0.0 110.01 177.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.483 ' O ' HG22 ' A' ' 45' ' ' VAL . 51.4 mt-30 -58.16 -43.88 87.63 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.615 -1.175 . . . . 0.0 111.951 -177.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -67.12 -40.8 86.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.057 0.456 . . . . 0.0 111.062 -174.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -66.43 -42.09 88.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.737 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -68.18 -42.46 79.91 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.419 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 41' ' ' GLN . 77.6 t -61.83 -40.34 86.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.803 0.335 . . . . 0.0 110.233 177.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.8 -35.51 70.93 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.833 176.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.555 HD11 HD22 ' A' ' 70' ' ' LEU . 6.0 tt -66.57 -45.58 78.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.137 177.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.26 -28.49 70.06 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.965 0.412 . . . . 0.0 111.836 -177.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 45' ' ' VAL . 41.6 mt-10 -74.26 -21.41 59.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.206 0.527 . . . . 0.0 110.234 177.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.2 m -99.91 174.44 6.19 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.367 178.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.552 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 3.5 m-20 -71.91 158.42 36.07 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 175.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.504 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 7.2 p-10 -119.02 52.58 1.8 Allowed Pre-proline 0 CA--C 1.54 0.558 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -171.188 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.552 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 3.3 Cg_exo -76.95 -35.18 1.93 Allowed 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.348 1.365 . . . . 0.0 110.447 175.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -66.3 -44.12 84.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.205 177.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.424 ' O ' HG23 ' A' ' 59' ' ' VAL . 7.9 tt -59.02 -49.82 76.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.031 -178.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -62.67 -41.36 99.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.61 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.46 ' HB3' ' HA3' ' A' ' 63' ' ' GLY . . . -66.37 -38.21 87.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.891 -176.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -70.9 -35.9 72.5 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.896 -0.321 . . . . 0.0 111.689 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 55' ' ' LEU . 87.2 t -65.19 -43.38 95.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.466 178.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 22.3 ttt -78.85 -15.09 58.82 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 121.016 0.436 . . . . 0.0 110.685 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.31 38.64 21.22 Favored Glycine 0 CA--C 1.518 0.233 0 C-N-CA 121.198 -0.525 . . . . 0.0 112.77 176.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 50.2 m170 -126.83 2.45 6.67 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.584 0.216 . . . . 0.0 111.584 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.46 ' HA3' ' HB3' ' A' ' 57' ' ' ALA . . . -126.73 158.65 20.82 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 119.809 -1.186 . . . . 0.0 113.865 -171.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.449 ' HD2' ' C ' ' A' ' 63' ' ' GLY . 6.3 mpt_? -131.13 143.14 50.42 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 174.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 25.5 p -111.61 157.27 20.61 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.496 -177.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -73.69 -37.69 65.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.156 0.503 . . . . 0.0 110.057 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -104.25 110.21 22.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.366 177.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 28.0 mt -74.7 -10.53 59.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.919 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.38 -38.61 94.99 Favored Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 171.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.555 HD22 HD11 ' A' ' 47' ' ' LEU . 69.4 mt -68.55 -32.9 73.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.278 0.561 . . . . 0.0 110.705 176.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.99 -24.49 64.23 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.662 178.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.18 -53.8 52.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.999 -177.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.466 ' SD ' ' HA ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -73.41 -28.51 62.04 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.945 -178.614 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.46 ' O ' HG23 ' A' ' 78' ' ' VAL . 78.8 t -65.66 -41.25 90.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.853 0.359 . . . . 0.0 110.274 175.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -64.14 -34.25 77.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.008 0.432 . . . . 0.0 110.112 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -65.31 -35.52 81.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.385 175.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 73' ' ' MET . 79.0 mt -65.98 -40.27 86.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.106 0.479 . . . . 0.0 109.747 173.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 74' ' ' VAL . 66.2 t -61.32 -35.2 64.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.503 175.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.99 -36.34 81.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.019 0.438 . . . . 0.0 110.915 177.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -71.32 -40.75 70.59 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 176.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.497 ' O ' HG22 ' A' ' 85' ' ' VAL . 48.9 t-20 -62.33 -38.75 90.64 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.836 177.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 29.0 tp -54.67 -36.59 64.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.945 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.448 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 26.1 t -71.1 -40.67 71.35 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.306 -178.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -70.15 -27.22 64.38 Favored 'General case' 0 C--N 1.334 -0.106 0 C-N-CA 119.842 -0.743 . . . . 0.0 109.974 176.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 81' ' ' ASN . 73.9 t -65.93 -54.08 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 175.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' A' ' 83' ' ' SER . 36.8 ptt180 -62.04 -22.34 65.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.953 0.406 . . . . 0.0 110.848 -179.315 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 54.1 tp -84.15 -56.03 3.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.671 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 . . . . . 0 C--N 1.331 -0.217 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -174.279 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.9 mtt . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.739 0.304 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.695 ' HA ' ' OE1' ' A' ' 6' ' ' GLN . 76.9 m-85 -100.94 113.73 26.96 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.099 0.476 . . . . 0.0 110.381 178.009 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.6 p -91.57 -177.02 4.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.017 -172.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.67 -34.64 67.56 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.96 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -62.79 -49.19 75.95 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 121.352 0.596 . . . . 0.0 110.102 177.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.695 ' OE1' ' HA ' ' A' ' 2' ' ' TYR . 86.3 mt-30 -69.68 -30.52 68.2 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.447 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 43.0 mttm -54.1 -44.24 71.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.794 -0.184 . . . . 0.0 110.97 177.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.28 -42.68 71.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.966 0.412 . . . . 0.0 110.666 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -64.76 -38.75 92.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.322 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 88.5 mt -72.0 -42.19 68.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.3 175.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.534 ' HE3' ' SD ' ' A' ' 26' ' ' MET . 80.3 tttt -55.11 -40.96 71.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.729 178.256 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -71.24 -30.91 66.91 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.266 177.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.98 -52.42 24.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.793 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.591 ' HB3' HD11 ' A' ' 48' ' ' LEU . 17.2 p -68.0 -25.75 65.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.045 -179.338 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.611 ' HG3' ' HB2' ' A' ' 22' ' ' ASP . 62.6 ttt-85 -61.46 -33.2 73.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.023 174.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.629 ' HG3' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER 61.22 -164.04 0.25 Allowed 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.367 176.002 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -93.92 2.51 69.4 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.904 175.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.4 ptp -124.59 131.39 53.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.058 0.456 . . . . 0.0 110.381 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.7 mt -69.77 -24.97 63.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.649 -169.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -61.59 -33.85 74.6 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.141 0.422 . . . . 0.0 112.141 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.629 HD12 ' HG3' ' A' ' 16' ' ' ARG . 53.8 mt -74.74 -26.81 60.04 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.528 -178.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.611 ' HB2' ' HG3' ' A' ' 15' ' ' ARG . 23.3 t70 -65.68 -31.05 71.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.423 0.63 . . . . 0.0 110.01 174.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.0 t -74.03 -24.91 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.283 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.514 HG21 ' HE2' ' A' ' 84' ' ' LYS . 47.9 t -109.82 -56.99 4.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -172.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.3 mt -79.14 -35.1 17.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.653 -0.248 . . . . 0.0 111.625 -170.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.568 ' HE2' ' HD3' ' A' ' 27' ' ' PRO . 16.4 tmm? -58.83 -53.39 66.86 Favored Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.491 -177.329 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.568 ' HD3' ' HE2' ' A' ' 26' ' ' MET . 39.0 Cg_endo -67.77 -27.13 38.09 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 121.457 1.438 . . . . 0.0 111.407 176.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -65.58 -38.92 90.91 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.127 178.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.444 ' HA ' ' HG ' ' A' ' 32' ' ' CYS . 47.0 t80 -57.48 -41.36 80.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.866 0.365 . . . . 0.0 110.739 178.009 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.75 -46.17 79.82 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.315 178.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -69.02 -51.29 40.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.106 -178.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.625 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 30.0 p -63.66 -39.56 94.64 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.201 -173.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -52.92 -42.63 65.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.822 0.344 . . . . 0.0 111.245 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -70.79 -21.8 62.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.095 0.474 . . . . 0.0 111.395 -178.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.9 t -104.82 -16.84 14.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.896 -173.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.625 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 37.2 mt -104.95 171.98 7.03 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.364 0.602 . . . . 0.0 111.268 -175.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 37.7 p -88.06 166.25 14.58 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.354 171.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.9 -34.75 78.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.255 0.55 . . . . 0.0 110.229 177.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 m -57.41 -50.06 74.22 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.852 176.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -61.85 -42.63 99.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.28 177.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.49 ' O ' HG23 ' A' ' 45' ' ' VAL . 5.2 tt0 -57.22 -42.52 81.53 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.406 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.01 -45.43 92.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.136 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.25 -39.42 82.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.722 178.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -68.41 -40.15 81.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.796 178.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 41' ' ' GLN . 87.0 t -66.01 -43.0 92.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.572 178.01 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.12 -36.33 70.54 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.632 HD23 ' HB3' ' A' ' 70' ' ' LEU . 76.2 mt -62.98 -50.94 68.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.868 175.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.591 HD11 ' HB3' ' A' ' 14' ' ' CYS . 87.1 mt -66.44 -23.06 66.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.865 -175.018 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -75.15 -13.43 60.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.936 0.398 . . . . 0.0 110.932 177.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.7 m -96.53 -168.62 1.76 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 173.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.542 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 19.0 t70 -98.58 155.91 17.06 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 170.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.521 ' OD2' ' HD2' ' A' ' 16' ' ' ARG . 35.8 m-20 -113.93 54.48 0.66 Allowed Pre-proline 0 N--CA 1.472 0.65 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 -170.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.542 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 2.7 Cg_exo -77.47 -29.95 4.39 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.428 1.419 . . . . 0.0 109.934 169.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -69.02 -47.3 65.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.19 177.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.478 HD21 HG23 ' A' ' 77' ' ' ILE . 7.1 tt -60.86 -49.07 78.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.735 -179.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -62.65 -30.77 71.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.097 0.475 . . . . 0.0 110.349 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.77 -45.04 83.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.309 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.526 ' HB2' HG11 ' A' ' 74' ' ' VAL . 27.1 m95 -65.26 -30.6 71.49 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.212 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.447 HG21 ' O ' ' A' ' 55' ' ' LEU . 62.3 t -64.79 -34.04 67.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.012 0.434 . . . . 0.0 110.217 176.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 68.5 mtm -88.95 -22.34 23.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.285 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.14 53.72 0.69 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 121.039 -0.6 . . . . 0.0 112.75 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -145.13 92.8 2.3 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -98.09 -125.38 5.22 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.78 -0.645 . . . . 0.0 113.28 -177.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 69.18 25.54 5.7 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.428 0.691 . . . . 0.0 111.721 -176.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 97.7 m -75.24 163.59 27.35 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.14 176.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -59.08 -50.24 74.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.446 -175.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -117.08 116.63 27.7 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.352 -169.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.1 mt -75.8 -22.48 56.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.734 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.81 -42.53 99.67 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.795 -0.717 . . . . 0.0 111.501 175.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.632 ' HB3' HD23 ' A' ' 47' ' ' LEU . 96.6 mt -68.82 -35.68 77.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.943 0.401 . . . . 0.0 110.052 174.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.64 -29.73 70.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.03 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.491 ' O ' ' HG3' ' A' ' 76' ' ' LYS . . . -65.08 -29.56 70.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.225 176.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 24.4 mmt -73.02 -36.54 67.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.606 176.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.526 HG11 ' HB2' ' A' ' 58' ' ' TRP . 46.5 t -67.54 -36.66 76.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.854 175.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -54.82 -39.87 68.97 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.622 175.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' A' ' 72' ' ' ALA . 65.4 mttm -69.43 -36.82 77.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.75 177.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.478 HG23 HD21 ' A' ' 55' ' ' LEU . 47.0 mm -59.38 -48.28 87.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 174.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.416 HG21 ' O ' ' A' ' 74' ' ' VAL . 59.0 t -64.04 -35.78 74.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.722 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.18 -42.8 99.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.321 . . . . 0.0 111.241 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -66.07 -42.93 88.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.239 0.543 . . . . 0.0 109.634 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.401 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 4.5 t30 -65.95 -36.32 83.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.047 177.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.434 HD21 ' O ' ' A' ' 82' ' ' LEU . 5.0 tt -54.76 -35.68 64.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.48 -177.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.419 ' HA ' ' HG2' ' A' ' 86' ' ' ARG . 14.4 m -64.17 -49.29 72.66 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.463 -178.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.514 ' HE2' HG21 ' A' ' 24' ' ' VAL . 21.1 pttp -69.95 -22.8 63.14 Favored 'General case' 0 N--CA 1.461 0.104 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.626 -178.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 93.2 t -79.98 -42.16 21.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.761 176.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.419 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 32.9 ptt180 -74.35 -21.79 59.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.895 -177.233 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.431 ' O ' HD23 ' A' ' 87' ' ' LEU . 6.3 tt -64.7 -33.57 76.26 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 172.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.303 178.049 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 120.961 0.41 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -84.27 145.46 28.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.033 -178.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.2 p -118.53 158.72 24.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.12 0.486 . . . . 0.0 111.865 -174.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.496 ' O ' ' HB2' ' A' ' 7' ' ' LYS . . . -65.62 -29.38 69.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.566 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.84 -39.94 90.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.311 0.577 . . . . 0.0 110.082 177.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -66.26 -29.6 69.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.347 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 4' ' ' ALA . 25.2 mtpp -56.69 -39.69 74.26 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.914 0.387 . . . . 0.0 110.444 174.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.08 -36.55 84.69 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.492 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -62.98 -34.02 76.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.362 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.4 mt -71.52 -43.99 71.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.985 175.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -57.35 -38.52 74.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.365 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -70.79 -22.82 62.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.496 178.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.72 22.88 14.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.691 -174.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.8 p -67.83 -25.89 65.79 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.716 0.294 . . . . 0.0 110.677 178.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.2 mtt180 75.71 134.77 0.05 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.265 -0.879 . . . . 0.0 112.598 175.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -71.17 -23.1 61.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.008 175.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.0 -20.71 74.93 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.162 177.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.538 ' HB3' ' HB3' ' A' ' 21' ' ' LEU . 1.5 mpt? -101.12 72.41 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.154 0.502 . . . . 0.0 109.826 177.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.92 -56.31 12.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.645 -172.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.0 mp0 -71.53 -31.38 66.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.052 0.454 . . . . 0.0 110.779 -179.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.538 ' HB3' ' HB3' ' A' ' 18' ' ' MET . 5.3 tp -68.29 -38.02 81.24 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.275 -176.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -51.59 -38.21 53.5 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.648 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.9 t -71.17 -37.27 65.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.651 -176.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.544 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 35.7 m -91.77 -27.62 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -172.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 21' ' ' LEU . 65.9 mt -59.08 -42.38 86.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -175.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.7 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 42.5 tpp -57.09 -53.66 62.93 Favored Pre-proline 0 CA--C 1.542 0.669 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -172.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.7 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 2.8 Cg_exo -78.45 -32.63 2.15 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 122.124 1.883 . . . . 0.0 112.666 177.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -67.72 -36.65 81.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.854 -0.157 . . . . 0.0 110.8 -178.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.601 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 87.5 t80 -56.76 -44.68 82.01 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.783 0.325 . . . . 0.0 110.23 177.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -57.67 -45.21 85.87 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.159 178.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -72.87 -35.61 67.2 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.837 -177.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.601 ' SG ' ' HA ' ' A' ' 29' ' ' PHE . 28.2 p -75.98 -34.01 59.76 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.282 178.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -62.32 -36.35 81.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.166 0.507 . . . . 0.0 110.476 177.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -63.22 -28.1 69.81 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.276 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.3 t -97.65 -44.8 6.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.217 -176.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 51.4 mt -75.49 144.44 42.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.626 0.25 . . . . 0.0 110.91 -176.034 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -94.39 -178.49 4.6 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 173.432 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -54.57 -43.51 72.14 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -176.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.5 m -57.88 -51.57 69.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.955 0.407 . . . . 0.0 111.408 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.2 mp0 -70.28 -41.52 73.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.187 -178.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.434 ' O ' HG23 ' A' ' 45' ' ' VAL . 2.8 tt0 -62.37 -40.97 98.18 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.156 -178.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -62.89 -40.88 98.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.36 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -59.61 -43.18 93.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.111 177.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.604 ' HA ' ' HE2' ' A' ' 73' ' ' MET . 64.1 t80 -64.84 -49.3 71.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.376 177.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 41' ' ' GLN . 90.9 t -64.49 -39.35 85.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.183 -178.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.49 -36.97 79.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.932 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.434 HD21 HD22 ' A' ' 70' ' ' LEU . 33.1 tp -67.82 -35.93 79.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.104 177.442 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 44' ' ' PHE . 86.7 mt -59.23 -31.23 68.86 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -176.051 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -78.74 -14.06 59.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.011 0.434 . . . . 0.0 111.185 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.0 t -96.25 -177.9 4.13 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 177.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -112.78 113.52 25.65 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 177.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.804 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -118.46 87.2 30.28 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 121.54 0.686 . . . . 0.0 111.727 -176.115 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -68.04 -27.26 36.3 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.633 2.222 . . . . 0.0 110.5 173.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.519 ' O ' ' HD1' ' A' ' 58' ' ' TRP . 4.6 m-20 -65.11 -38.11 89.62 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.343 174.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.804 ' HB2' ' HB3' ' A' ' 52' ' ' ASP . 1.1 tt -58.04 -50.18 74.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.14 176.173 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -63.98 -34.64 78.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.222 176.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.555 ' HB2' ' O ' ' A' ' 62' ' ' HIS . . . -63.39 -39.94 95.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.511 179.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.519 ' HD1' ' O ' ' A' ' 54' ' ' ASP . 17.1 m95 -64.74 -37.28 87.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 110.806 177.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.2 t -65.9 -39.57 85.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.428 176.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 86.6 mmm -75.65 -21.26 57.84 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.762 0.315 . . . . 0.0 111.34 176.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.75 27.13 22.8 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 121.105 -0.569 . . . . 0.0 112.656 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.555 ' O ' ' HB2' ' A' ' 57' ' ' ALA . 94.7 m-70 -145.99 77.31 1.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.883 0.342 . . . . 0.0 111.064 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -179.52 163.92 31.61 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 119.897 -1.144 . . . . 0.0 112.841 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 73.6 mtt-85 -127.17 138.42 53.14 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 35.7 t -89.34 146.96 24.35 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -177.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -69.11 -37.75 78.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.071 0.462 . . . . 0.0 110.286 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -138.06 118.13 13.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.904 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 31.1 mt -65.36 -14.9 61.89 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -173.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.43 -44.18 98.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.584 -0.817 . . . . 0.0 111.271 173.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.434 HD22 HD21 ' A' ' 47' ' ' LEU . 37.9 mt -65.06 -42.19 94.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.291 0.567 . . . . 0.0 109.736 173.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.84 -23.87 67.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.487 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.58 -45.9 90.5 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.917 0.339 . . . . 0.0 111.917 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.604 ' HE2' ' HA ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -75.4 -28.99 59.66 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.951 177.49 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.433 ' O ' HG22 ' A' ' 78' ' ' VAL . 78.8 t -65.1 -36.32 77.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 175.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -54.24 -41.88 69.24 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.576 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -66.55 -37.75 85.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.099 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 63.7 mt -70.63 -40.43 77.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.495 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 74' ' ' VAL . 78.6 t -59.49 -47.93 89.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.17 -39.39 92.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.168 0.509 . . . . 0.0 110.629 178.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -60.73 -48.43 81.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.632 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.451 ' O ' HG22 ' A' ' 85' ' ' VAL . 9.3 t30 -67.07 -40.52 87.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.684 178.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.4 tt -56.29 -43.22 78.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.017 0.437 . . . . 0.0 109.989 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.482 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 8.0 t -66.92 -44.81 79.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.48 -177.033 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -69.31 -22.55 63.78 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.05 -178.403 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 81' ' ' ASN . 73.8 t -79.66 -39.8 20.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.883 176.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.482 ' HG2' ' O ' ' A' ' 83' ' ' SER . 40.3 ptt180 -73.7 -24.9 60.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.929 0.395 . . . . 0.0 111.003 -178.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 83' ' ' SER . 78.3 mt -70.45 -44.22 68.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.676 175.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 . . . . . 0 N--CA 1.464 0.232 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.439 -177.391 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.3 ttm . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 120.571 0.224 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -123.62 103.73 8.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.058 0.456 . . . . 0.0 110.966 177.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.449 ' HG1' ' CD ' ' A' ' 5' ' ' GLU . 46.5 p -104.75 -163.75 0.99 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.969 176.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.22 -35.83 78.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.621 0.248 . . . . 0.0 111.634 -177.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.449 ' CD ' ' HG1' ' A' ' 3' ' ' THR . 2.4 mp0 -60.3 -42.58 95.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.594 179.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -69.5 -36.35 76.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.396 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -60.35 -35.31 75.37 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.678 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . . . -64.65 -36.87 85.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.973 178.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -63.63 -36.3 83.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.133 0.492 . . . . 0.0 110.265 176.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.1 mt -70.61 -49.78 49.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.959 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.678 ' HG2' ' HA ' ' A' ' 8' ' ' ALA . 18.5 ptpt -60.84 -34.71 74.98 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.939 0.4 . . . . 0.0 111.419 -178.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -71.03 -22.49 62.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.566 177.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.406 ' HB2' ' HA ' ' A' ' 49' ' ' GLU . . . -97.77 -41.28 8.14 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -173.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.401 ' SG ' ' HA ' ' A' ' 11' ' ' LYS . 19.9 p -64.74 -26.3 68.3 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -173.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.495 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 93.5 mtt180 -90.35 -176.44 4.8 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.471 -176.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.495 ' HB2' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 75.49 138.98 0.06 Allowed 'General case' 0 N--CA 1.47 0.535 0 O-C-N 124.008 0.817 . . . . 0.0 111.091 -172.455 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.04 -65.13 3.94 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.382 -0.826 . . . . 0.0 112.176 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.5 ptt? -132.08 111.3 11.36 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.27 0.557 . . . . 0.0 110.627 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 84.0 mt -81.46 -27.29 34.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.521 -177.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -56.52 -44.88 81.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.623 -176.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.469 ' O ' HG13 ' A' ' 25' ' ' ILE . 4.4 mm? -64.0 -44.97 91.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.499 -176.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -56.29 -33.88 65.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.927 0.394 . . . . 0.0 111.443 -177.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.7 t -59.55 -37.96 72.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.843 -177.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.6 m -100.45 -25.03 3.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -176.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 21' ' ' LEU . 74.2 mt -67.67 -52.28 42.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 111.705 0.261 . . . . 0.0 111.705 -176.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.607 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 53.7 ttp -57.66 -53.49 65.09 Favored Pre-proline 0 CA--C 1.54 0.588 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -172.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.607 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 24.3 Cg_exo -63.89 -36.79 48.13 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.964 1.776 . . . . 0.0 112.371 -178.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -69.53 -40.89 76.63 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 177.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -58.9 -44.35 91.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.647 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -54.39 -45.12 72.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.081 0.467 . . . . 0.0 111.461 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -75.01 -45.5 41.41 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.761 178.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 35.1 t -65.09 -34.1 77.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.937 0.399 . . . . 0.0 111.079 -176.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -53.35 -35.54 60.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.831 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -58.27 -30.61 66.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.1 0.476 . . . . 0.0 110.802 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.2 t -98.26 -26.52 14.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.805 -178.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.1 mt -72.39 139.02 47.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.199 0.523 . . . . 0.0 110.873 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.4 p -91.28 169.54 10.73 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.016 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -50.71 -46.19 58.79 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.319 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.4 p -61.18 -49.49 76.99 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.616 -177.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -62.93 -47.0 85.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.585 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.422 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -59.96 -41.37 91.77 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.02 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -61.22 -45.07 96.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -62.04 -42.91 99.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.802 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.457 ' CZ ' HD12 ' A' ' 48' ' ' LEU . 35.2 t80 -62.54 -48.32 80.01 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.154 179.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 41' ' ' GLN . 87.7 t -60.75 -48.84 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.348 -178.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.26 -33.21 71.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.395 -177.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 1.012 HD22 HD11 ' A' ' 70' ' ' LEU . 17.3 tp -68.0 -40.95 82.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.888 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.457 HD12 ' CZ ' ' A' ' 44' ' ' PHE . 97.5 mt -69.81 -16.74 63.33 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -174.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.406 ' HA ' ' HB2' ' A' ' 13' ' ' ALA . 38.7 mt-10 -58.51 -35.07 71.68 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -168.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 39.4 m -152.69 113.45 4.13 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 122.082 -0.386 . . . . 0.0 111.75 172.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.0 t70 55.25 119.37 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 O-C-N 124.765 1.291 . . . . 0.0 113.435 175.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.711 ' CG ' ' HB2' ' A' ' 55' ' ' LEU . 4.1 t0 -114.04 85.85 10.65 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.043 178.284 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -77.5 -27.3 6.42 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.558 2.172 . . . . 0.0 111.674 177.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -65.23 -47.77 75.63 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 176.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.711 ' HB2' ' CG ' ' A' ' 52' ' ' ASP . 0.4 OUTLIER -58.97 -50.96 72.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.526 -1.216 . . . . 0.0 110.19 176.524 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -58.94 -47.34 85.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.067 -178.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.37 -34.25 77.55 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -175.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -81.58 -31.46 32.56 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.519 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.465 ' HA ' HG21 ' A' ' 78' ' ' VAL . 74.1 t -68.69 -39.7 80.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.042 0.449 . . . . 0.0 110.316 173.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 25.8 mmt -79.96 -14.35 58.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.135 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.52 45.68 10.76 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.076 -0.583 . . . . 0.0 113.253 176.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -123.89 -15.9 6.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.949 0.374 . . . . 0.0 111.473 176.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.56 115.04 0.05 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 114.867 0.707 . . . . 0.0 114.867 172.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -145.92 14.71 1.35 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.663 0.268 . . . . 0.0 110.928 173.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 19.9 t -101.68 123.33 45.49 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.463 -173.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -84.44 -34.35 23.49 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.557 -175.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -105.01 118.79 37.41 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.241 0.543 . . . . 0.0 110.959 -178.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.497 ' HA ' ' HB1' ' A' ' 71' ' ' ALA . 32.0 mt -72.49 -12.77 61.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.176 -177.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.77 -47.96 87.66 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.588 -0.815 . . . . 0.0 111.566 174.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 1.012 HD11 HD22 ' A' ' 47' ' ' LEU . 35.1 mt -72.22 -44.87 62.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.409 . . . . 0.0 110.731 174.225 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.497 ' HB1' ' HA ' ' A' ' 68' ' ' LEU . . . -57.11 -28.52 62.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.756 -178.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.22 -46.39 89.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.135 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.51 ' HG3' ' O ' ' A' ' 70' ' ' LEU . 3.4 ppp? -74.01 -28.79 61.62 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.144 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.433 ' O ' HG23 ' A' ' 78' ' ' VAL . 74.4 t -69.01 -41.2 81.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.933 0.397 . . . . 0.0 110.171 176.199 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -60.8 -34.38 74.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.546 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -59.04 -40.34 84.75 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.036 0.446 . . . . 0.0 110.31 175.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.5 mt -69.89 -43.33 79.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.156 177.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.465 HG21 ' HA ' ' A' ' 59' ' ' VAL . 67.6 t -61.5 -38.75 80.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.812 179.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.93 -36.7 82.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.96 177.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -71.58 -36.3 70.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.328 177.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.455 ' O ' HG23 ' A' ' 85' ' ' VAL . 64.0 t30 -70.08 -34.93 73.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.804 178.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 tt -53.95 -43.94 70.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.873 -176.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.641 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 11.9 p -67.97 -31.02 70.46 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.72 0.295 . . . . 0.0 110.879 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.493 ' HA ' HD12 ' A' ' 87' ' ' LEU . 27.4 mtpp -69.04 -33.82 74.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.051 0.453 . . . . 0.0 110.23 177.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 81' ' ' ASN . 60.9 t -67.49 -39.66 82.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.385 178.358 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 83' ' ' SER . 12.9 ptm180 -78.04 -23.3 48.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.703 -178.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' A' ' 83' ' ' SER . 74.5 mt -61.5 -58.96 6.06 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.885 0.374 . . . . 0.0 110.244 174.658 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.363 178.826 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.8 ttp . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 120.705 0.288 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.425 ' HD1' ' HG2' ' A' ' 6' ' ' GLN . 54.9 m-85 -119.14 136.87 53.96 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 172.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 68.0 p -98.85 -174.04 2.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.814 -0.176 . . . . 0.0 110.579 -174.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.54 -32.84 67.49 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.724 0.297 . . . . 0.0 111.432 -177.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -60.46 -50.15 74.72 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 177.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.425 ' HG2' ' HD1' ' A' ' 2' ' ' TYR . 26.7 mp0 -70.19 -37.82 75.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.048 178.164 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -56.17 -40.27 73.64 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.829 0.347 . . . . 0.0 110.979 178.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.424 ' O ' ' HD1' ' A' ' 12' ' ' TRP . . . -61.44 -47.06 87.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.994 178.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -62.35 -36.96 83.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.074 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 6' ' ' GLN . 81.5 mt -64.62 -44.74 96.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.022 0.439 . . . . 0.0 110.065 177.232 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.628 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 87.5 tttt -63.03 -37.16 86.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.714 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.424 ' HD1' ' O ' ' A' ' 8' ' ' ALA . 11.6 m95 -62.76 -25.18 68.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.542 178.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.83 -29.94 23.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.073 178.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 58.2 m -73.31 -46.06 51.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.982 0.42 . . . . 0.0 110.882 -179.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.628 ' HG3' ' O ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -97.72 -174.25 2.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.881 177.564 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 74.07 -39.44 0.43 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.075 0.55 . . . . 0.0 110.79 -177.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.429 ' H ' ' C ' ' A' ' 15' ' ' ARG . . . -86.49 -111.47 0.85 Allowed Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 121.297 -0.478 . . . . 0.0 112.204 177.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.554 ' HG2' HD21 ' A' ' 21' ' ' LEU . 54.6 tpp -92.65 96.73 10.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.056 0.455 . . . . 0.0 111.146 -176.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 72.2 mt -73.94 -21.3 60.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.788 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -60.37 -31.03 69.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.522 176.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.554 HD21 ' HG2' ' A' ' 18' ' ' MET . 4.3 mm? -93.25 -23.59 18.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.825 178.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -54.05 -36.09 62.71 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.186 0.517 . . . . 0.0 110.667 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.8 t -57.95 -35.06 50.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.002 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.1 p -104.32 -33.93 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.759 0.314 . . . . 0.0 111.469 -176.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 63.2 mt -70.63 -46.13 71.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -175.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.556 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 78.9 mmm -59.67 -53.7 63.09 Favored Pre-proline 0 N--CA 1.466 0.354 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -174.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.53 ' HD3' ' HB2' ' A' ' 26' ' ' MET . 50.7 Cg_exo -58.08 -38.71 90.54 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 121.72 1.613 . . . . 0.0 112.279 179.029 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.495 ' HZ ' ' HB3' ' A' ' 76' ' ' LYS . 55.6 t80 -69.32 -41.98 75.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.569 177.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -58.77 -42.07 88.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.663 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.556 ' HG3' ' O ' ' A' ' 26' ' ' MET . 38.7 mt-10 -54.94 -45.18 74.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.528 0.68 . . . . 0.0 111.12 178.304 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -77.56 -40.76 41.35 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.695 -177.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.609 ' HG ' ' HG ' ' A' ' 36' ' ' LEU . 38.4 t -83.19 -21.8 33.37 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -173.113 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -53.49 -50.62 64.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.897 0.379 . . . . 0.0 111.254 -179.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -69.47 -24.37 63.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.074 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.9 t -80.21 -21.3 43.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.304 -173.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.609 ' HG ' ' HG ' ' A' ' 32' ' ' CYS . 80.1 mt -96.53 155.4 16.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.745 0.307 . . . . 0.0 111.055 -178.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 48.3 p -83.31 171.49 13.5 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 172.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -57.89 -41.9 83.52 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -174.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.27 -45.27 85.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.239 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.428 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . 40.1 mt-10 -64.85 -40.54 95.33 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.31 0.576 . . . . 0.0 110.14 178.127 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.479 ' O ' HG21 ' A' ' 45' ' ' VAL . 6.4 tt0 -56.47 -48.59 76.78 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.767 176.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -69.1 -34.54 75.24 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.856 -177.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -63.5 -43.31 97.62 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.229 178.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -65.47 -42.56 92.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.456 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.479 HG21 ' O ' ' A' ' 41' ' ' GLN . 94.1 t -61.29 -37.94 78.73 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.864 177.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.05 -39.35 78.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 177.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.549 HD13 HD21 ' A' ' 70' ' ' LEU . 6.1 tt -64.37 -39.44 93.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.431 178.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.5 mt -63.14 -22.69 67.03 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -174.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -80.22 -13.85 58.9 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.114 178.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.1 t -96.95 -172.07 2.37 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.974 -178.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.589 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 7.4 m-20 -87.6 175.19 8.03 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 177.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.576 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 9.5 p-10 -121.18 51.61 2.57 Favored Pre-proline 0 CA--C 1.543 0.693 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -179.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.589 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 1.6 Cg_endo -83.82 -54.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.061 1.841 . . . . 0.0 110.713 176.112 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.453 ' O ' ' HD1' ' A' ' 58' ' ' TRP . 2.4 m-20 -59.65 -41.58 90.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.981 175.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.518 ' O ' HG22 ' A' ' 59' ' ' VAL . 9.3 tt -58.98 -50.15 75.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.068 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -60.33 -38.26 83.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.185 0.516 . . . . 0.0 110.43 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.6 -40.87 84.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.668 -178.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.454 ' HB2' HG11 ' A' ' 74' ' ' VAL . 21.0 m95 -67.46 -33.32 74.89 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.677 0.275 . . . . 0.0 111.027 179.21 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 55' ' ' LEU . 86.4 t -61.93 -36.5 74.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.051 0.453 . . . . 0.0 110.353 176.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 22.1 mmt -87.13 -18.18 31.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.014 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.11 22.87 31.3 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.623 176.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -114.43 -3.65 13.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.226 0.536 . . . . 0.0 110.206 -178.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -88.24 163.04 32.65 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.653 -0.784 . . . . 0.0 113.635 -170.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -148.75 136.17 20.34 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 176.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 29.8 t -130.09 169.86 14.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.778 0.323 . . . . 0.0 110.994 -172.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -86.14 -42.46 13.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.806 -177.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -117.96 131.58 56.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.401 0.619 . . . . 0.0 110.674 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.5 mt -76.19 -17.54 59.48 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.981 -176.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -59.38 -48.2 87.14 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.635 -0.793 . . . . 0.0 111.973 178.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.549 HD21 HD13 ' A' ' 47' ' ' LEU . 58.2 mt -71.57 -30.95 66.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.993 0.425 . . . . 0.0 110.748 176.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.35 -36.79 83.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.474 ' O ' ' HG3' ' A' ' 76' ' ' LYS . . . -66.79 -27.77 67.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.755 178.127 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 23.6 mmt -64.91 -45.92 83.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.152 0.501 . . . . 0.0 109.833 175.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.506 ' O ' HG23 ' A' ' 78' ' ' VAL . 31.4 t -65.89 -36.73 78.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.387 178.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -54.4 -45.09 72.84 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.913 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.495 ' HB3' ' HZ ' ' A' ' 28' ' ' PHE . 57.4 mttm -67.79 -34.92 77.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.717 -179.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 71.2 mt -63.66 -43.52 98.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.177 175.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 74' ' ' VAL . 72.0 t -62.04 -42.88 96.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.537 178.377 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.55 -42.23 87.37 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.278 177.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -71.77 -37.03 70.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.16 0.505 . . . . 0.0 110.262 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -60.23 -33.5 72.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.948 178.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.6 tp -53.66 -30.86 45.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.012 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.538 ' HA ' ' HG2' ' A' ' 86' ' ' ARG . 22.6 t -64.49 -41.03 96.7 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.598 176.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -67.77 -33.74 75.44 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 175.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 99.4 t -68.04 -39.98 82.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.044 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.538 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 31.4 ptt85 -77.82 -21.21 51.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.106 0.479 . . . . 0.0 110.885 -178.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 64.8 tp -88.08 -55.03 3.92 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.141 -178.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 C--N 1.324 -0.527 0 CA-C-O 121.115 0.483 . . . . 0.0 111.341 -175.106 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.1 mtt . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 110.619 -0.141 . . . . 0.0 110.619 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -62.5 105.41 0.63 Allowed 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 121.348 0.594 . . . . 0.0 109.575 170.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.4 p -90.29 -174.64 4.24 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.895 -1.048 . . . . 0.0 112.376 -171.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.493 ' HA ' ' HG2' ' A' ' 7' ' ' LYS . . . -59.36 -30.72 68.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.851 175.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 21.7 tt0 -64.35 -49.41 71.78 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 121.351 0.596 . . . . 0.0 109.633 175.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.496 ' O ' HG13 ' A' ' 10' ' ' ILE . 77.6 mm-40 -66.08 -42.92 88.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.062 -175.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.493 ' HG2' ' HA ' ' A' ' 4' ' ' ALA . 20.9 ptmt -61.57 -33.42 73.84 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.582 -179.347 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.88 -41.25 71.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.937 0.399 . . . . 0.0 110.201 177.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 5' ' ' GLU . 28.4 mtp180 -62.69 -32.7 73.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.277 176.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 6' ' ' GLN . 78.3 mt -65.45 -43.21 94.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.596 174.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.614 ' HG2' ' HE1' ' A' ' 26' ' ' MET . 2.3 tmtp? -56.95 -35.26 68.89 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.553 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -58.1 -32.98 68.61 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.972 176.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.69 40.54 1.47 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.983 0.42 . . . . 0.0 110.575 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 3.7 p -61.48 -24.81 66.83 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.892 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.758 HH21 ' HA ' ' A' ' 49' ' ' GLU . 36.0 mmt180 75.22 163.36 0.26 Allowed 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.353 0.661 . . . . 0.0 111.545 178.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -122.31 109.95 15.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.946 -177.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -134.81 -60.07 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.374 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.3 tpt -162.44 142.21 9.55 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -178.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.6 mt -61.39 -36.36 80.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 111.087 -178.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.463 ' O ' HG22 ' A' ' 24' ' ' VAL . 27.7 mm-40 -64.81 -42.64 94.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.69 175.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.532 ' O ' HG12 ' A' ' 25' ' ' ILE . 4.4 tt -69.13 -36.88 77.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.283 -174.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -57.47 -43.73 84.27 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.506 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.13 -22.45 30.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.205 -178.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 20' ' ' GLU . 5.0 t -93.31 1.65 9.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.265 0.555 . . . . 0.0 110.293 -179.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.532 HG12 ' O ' ' A' ' 21' ' ' LEU . 46.2 mm -104.09 -65.43 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.602 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.707 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 34.7 tpp -68.56 -53.53 16.49 Favored Pre-proline 0 CA--C 1.535 0.385 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -170.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.707 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 31.0 Cg_exo -63.39 -29.25 71.91 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 121.699 1.6 . . . . 0.0 111.796 176.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.516 ' HZ ' ' HB3' ' A' ' 76' ' ' LYS . 70.7 t80 -69.85 -36.38 75.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.388 176.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -56.9 -41.07 77.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.219 177.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -55.53 -45.2 77.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.967 178.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -71.05 -51.28 26.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.961 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.0 t -70.02 -31.66 69.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.799 -170.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -53.93 -36.78 63.15 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 122.396 0.278 . . . . 0.0 111.667 -177.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -68.61 -20.23 64.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.022 0.439 . . . . 0.0 111.034 -178.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.1 m -107.2 -6.48 17.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.365 -178.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 66.5 mt -89.43 143.13 27.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.105 0.478 . . . . 0.0 111.47 -178.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.6 p -108.63 164.98 11.88 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.498 172.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -54.62 -38.1 66.42 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.97 0.414 . . . . 0.0 110.982 -179.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 m -57.6 -49.72 75.49 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.09 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -71.88 -39.14 69.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 178.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.466 ' O ' HG21 ' A' ' 45' ' ' VAL . 49.9 mt-30 -61.6 -39.76 92.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.678 -177.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -64.07 -45.56 88.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.937 0.399 . . . . 0.0 110.9 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -65.03 -35.78 82.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.674 178.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -68.23 -44.19 76.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.278 178.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.466 HG21 ' O ' ' A' ' 41' ' ' GLN . 73.7 t -62.99 -41.5 93.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.777 0.322 . . . . 0.0 110.517 178.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.61 -33.43 72.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.145 0.497 . . . . 0.0 110.744 176.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.534 ' HB2' HD23 ' A' ' 70' ' ' LEU . 54.7 tp -67.47 -38.15 83.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.09 177.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.0 mt -71.38 -18.22 62.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 112.074 -175.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.758 ' HA ' HH21 ' A' ' 15' ' ' ARG . 38.3 mt-10 -85.8 -12.59 50.54 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.652 0.242 . . . . 0.0 111.652 177.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.2 m -71.82 178.56 3.59 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.225 0.536 . . . . 0.0 111.504 -178.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -83.69 12.0 6.53 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.712 0.768 . . . . 0.0 110.001 177.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.575 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 10.5 m-20 50.82 52.43 12.28 Favored Pre-proline 0 CA--C 1.532 0.256 0 CA-C-N 114.601 -1.181 . . . . 0.0 112.35 -176.317 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.575 ' HD3' ' N ' ' A' ' 52' ' ' ASP . 5.2 Cg_endo -87.4 -56.67 0.02 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 121.873 1.716 . . . . 0.0 111.578 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.459 ' HB2' ' HB3' ' A' ' 65' ' ' CYS . 23.4 p-10 -70.5 -32.87 70.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.069 176.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.493 ' O ' HG21 ' A' ' 59' ' ' VAL . 6.9 tt -60.85 -50.57 72.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.682 175.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -63.8 -38.14 89.98 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.999 0.428 . . . . 0.0 110.494 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.624 ' HB2' ' HA3' ' A' ' 63' ' ' GLY . . . -57.35 -47.29 82.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.946 -178.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.49 ' HB2' HG13 ' A' ' 74' ' ' VAL . 31.1 m95 -74.71 -28.58 60.86 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.725 -176.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.493 HG21 ' O ' ' A' ' 55' ' ' LEU . 91.8 t -59.29 -42.77 88.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 120.907 0.384 . . . . 0.0 110.338 175.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 87.6 mtp -87.22 -20.05 27.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.583 178.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.16 33.36 17.84 Favored Glycine 0 C--N 1.331 0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.647 177.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -156.58 97.55 1.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 122.399 0.28 . . . . 0.0 110.529 -175.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.624 ' HA3' ' HB2' ' A' ' 57' ' ' ALA . . . 160.05 -31.53 0.4 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.359 -0.924 . . . . 0.0 113.43 174.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 62.76 -175.64 0.15 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.07 0.462 . . . . 0.0 111.452 -177.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.481 ' SG ' ' HB1' ' A' ' 71' ' ' ALA . 25.1 p -149.34 -178.25 6.3 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.369 -178.141 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -94.52 -35.74 12.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.251 0.548 . . . . 0.0 110.168 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -118.79 120.56 37.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.063 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.0 mt -70.52 -17.92 62.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.812 179.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.58 -47.15 91.48 Favored Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 174.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.534 HD23 ' HB2' ' A' ' 47' ' ' LEU . 99.0 mt -58.03 -43.85 86.99 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.199 0.523 . . . . 0.0 109.951 174.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.481 ' HB1' ' SG ' ' A' ' 65' ' ' CYS . . . -65.6 -26.01 67.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.433 -179.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.489 ' O ' ' HG3' ' A' ' 76' ' ' LYS . . . -62.94 -43.0 99.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.594 179.303 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 5.1 mpp? -69.08 -39.29 79.15 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.673 176.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.511 ' O ' HG21 ' A' ' 78' ' ' VAL . 46.0 t -62.5 -40.68 89.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.85 0.357 . . . . 0.0 110.598 178.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -60.64 -38.51 85.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.596 177.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.516 ' HB3' ' HZ ' ' A' ' 28' ' ' PHE . 97.6 mttt -61.99 -40.45 95.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.73 176.223 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 78.3 mt -63.36 -46.6 95.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.271 176.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.511 HG21 ' O ' ' A' ' 74' ' ' VAL . 84.1 t -56.79 -34.61 43.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.124 178.651 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.69 -46.5 88.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.813 0.34 . . . . 0.0 111.052 178.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -67.73 -36.1 79.96 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.592 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 58.0 t30 -63.64 -48.01 78.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.383 177.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.0 tt -57.57 -37.12 72.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.284 0.564 . . . . 0.0 109.633 177.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.499 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 21.9 t -63.58 -43.48 96.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.169 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.592 ' HG2' ' O ' ' A' ' 81' ' ' ASN . 11.7 ptmm? -69.38 -26.08 64.48 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.491 -0.483 . . . . 0.0 109.996 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.44 HG21 ' O ' ' A' ' 81' ' ' ASN . 95.2 t -74.93 -46.36 40.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.688 177.233 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -66.21 -23.3 66.41 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.136 0.493 . . . . 0.0 111.041 -179.495 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.424 ' N ' ' HD3' ' A' ' 86' ' ' ARG . 60.2 tp -70.45 -38.68 74.54 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.004 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 . . . . . 0 C--N 1.329 -0.306 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -176.075 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.2 tpp . . . . . 0 N--CA 1.478 0.957 0 CA-C-O 120.804 0.335 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.618 ' HE1' ' HE3' ' A' ' 7' ' ' LYS . 3.9 p90 -85.3 164.69 17.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.434 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.3 p -102.63 -171.84 2.03 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.894 -175.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 7' ' ' LYS . . . -57.35 -34.39 68.76 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.742 -176.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.4 -36.75 83.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.722 0.296 . . . . 0.0 111.419 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -70.45 -35.63 73.45 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 176.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.618 ' HE3' ' HE1' ' A' ' 2' ' ' TYR . 32.5 mmtp -59.48 -32.67 70.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.807 176.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.04 -36.41 72.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.837 -178.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -62.45 -42.43 99.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.258 0.552 . . . . 0.0 109.935 177.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 64.6 mt -65.66 -43.29 93.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.963 176.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -54.56 -36.48 64.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.834 -1.076 . . . . 0.0 111.772 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -66.42 -25.4 66.74 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -179.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.37 -49.92 3.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.966 0.412 . . . . 0.0 111.477 -177.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 84.6 m -63.31 -23.87 67.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.271 -177.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -51.1 -33.66 27.14 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.738 0.304 . . . . 0.0 111.106 177.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 16' ' ' ARG . 20.6 ttm-85 -101.17 -48.24 4.47 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 173.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.424 ' O ' ' HB3' ' A' ' 18' ' ' MET . . . 87.68 -29.62 5.31 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.627 -0.715 . . . . 0.0 113.338 174.312 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.424 ' HB3' ' O ' ' A' ' 17' ' ' GLY . 14.0 ttt 66.02 100.97 0.04 OUTLIER 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -173.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.7 mt -54.84 -30.69 58.17 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -167.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -68.19 -20.32 64.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.824 0.345 . . . . 0.0 111.315 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.5 mt -120.8 -30.27 4.48 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.062 -175.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -53.07 -44.16 67.27 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.355 0.662 . . . . 0.0 112.224 -176.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.7 m -66.63 -13.53 16.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.112 -176.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.8 t -106.67 -46.34 8.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.938 0.399 . . . . 0.0 110.78 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 62.1 mt -67.02 -46.7 84.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.169 -175.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.413 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 43.9 ttm -57.58 -54.39 55.56 Favored Pre-proline 0 CA--C 1.536 0.425 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -173.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' A' ' 26' ' ' MET . 28.4 Cg_endo -63.87 -37.05 46.85 Favored 'Trans proline' 0 C--N 1.357 0.977 0 C-N-CA 121.781 1.654 . . . . 0.0 112.138 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -60.7 -47.61 85.48 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.236 178.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -58.67 -48.83 79.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.786 -178.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -59.21 -45.34 91.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.117 0.484 . . . . 0.0 111.548 -177.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -72.92 -51.61 17.83 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.362 -0.835 . . . . 0.0 112.01 -177.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.454 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 6.9 t -83.2 -19.87 35.71 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -167.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -50.88 -38.42 49.47 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.852 0.358 . . . . 0.0 111.749 -177.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -65.83 -21.99 66.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.254 0.549 . . . . 0.0 111.461 -179.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.0 m -113.65 1.51 14.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.441 -176.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 70.7 mt -89.63 135.17 33.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.854 0.359 . . . . 0.0 110.86 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.9 161.16 25.72 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -64.02 -34.83 78.9 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -174.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.1 m -56.63 -47.58 79.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.979 0.419 . . . . 0.0 110.314 172.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -61.81 -38.65 88.92 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.359 0.6 . . . . 0.0 110.207 177.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.403 ' O ' HG23 ' A' ' 45' ' ' VAL . 78.5 mt-30 -65.41 -39.07 91.71 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.993 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -66.09 -45.48 81.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.778 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -59.95 -36.47 77.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.517 176.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -62.51 -43.53 98.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.705 177.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 41' ' ' GLN . 92.2 t -66.23 -48.19 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.406 178.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.76 -37.97 77.42 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.014 178.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 30.1 tp -54.94 -50.4 68.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.567 176.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.1 mt -67.05 -27.77 67.66 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.026 -172.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -79.65 -14.21 58.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.618 0.247 . . . . 0.0 111.259 179.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.9 m -101.76 150.75 22.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.218 0.532 . . . . 0.0 111.955 -172.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -93.76 103.22 15.36 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 172.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 1.04 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . 53.1 m-20 -125.2 85.7 57.85 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -170.474 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -75.61 -35.6 2.65 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.872 2.382 . . . . 0.0 111.454 174.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -69.7 -32.11 70.5 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.199 0.523 . . . . 0.0 109.753 178.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 1.04 ' HB2' ' HB3' ' A' ' 52' ' ' ASP . 0.7 OUTLIER -70.09 -35.96 74.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.259 175.89 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -57.83 -30.59 65.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.339 0.59 . . . . 0.0 110.153 174.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.02 -21.92 65.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.165 176.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.486 ' HE1' ' HA ' ' A' ' 64' ' ' ARG . 14.3 m95 -78.0 -30.96 50.35 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.423 174.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.5 t -58.61 -34.84 52.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.377 175.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 23.3 ptm -96.8 -9.57 28.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.723 177.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.36 35.91 36.02 Favored Glycine 0 CA--C 1.52 0.349 0 CA-C-N 116.002 -0.545 . . . . 0.0 114.045 173.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -135.79 18.91 3.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 117.168 0.484 . . . . 0.0 111.728 -178.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -128.71 -178.97 15.63 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 119.913 -1.136 . . . . 0.0 113.079 -176.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.486 ' HA ' ' HE1' ' A' ' 58' ' ' TRP . 12.9 mmt180 -138.53 148.52 44.35 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 122.449 0.3 . . . . 0.0 110.256 176.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 96.9 m -135.0 159.43 41.54 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.329 -177.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -77.45 -36.47 52.97 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -174.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -111.7 113.67 26.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.502 0.668 . . . . 0.0 110.48 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.2 mt -71.93 -12.3 61.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.818 -176.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.63 -47.47 88.22 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.39 173.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.585 ' HB3' HD11 ' A' ' 55' ' ' LEU . 30.1 mt -66.1 -39.79 90.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.114 0.483 . . . . 0.0 110.499 176.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.59 -39.54 91.56 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.395 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.37 -44.18 97.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.113 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.517 ' O ' HG13 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -61.06 -47.08 88.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.598 177.873 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.747 HG21 HD23 ' A' ' 55' ' ' LEU . 97.3 t -64.83 -40.54 89.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.331 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -55.54 -42.46 74.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.281 0.562 . . . . 0.0 110.771 178.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -68.26 -34.46 76.25 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.737 178.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 73' ' ' MET . 68.7 mt -65.03 -43.78 96.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.976 0.417 . . . . 0.0 110.072 175.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 74' ' ' VAL . 88.3 t -59.91 -41.61 86.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.649 178.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.34 -36.95 74.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.083 177.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -72.59 -37.17 68.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.155 0.502 . . . . 0.0 110.597 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -67.11 -35.51 79.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.6 179.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.4 tt -54.21 -38.79 66.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.011 178.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.557 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 19.4 m -62.9 -42.25 99.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 177.261 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -63.04 -33.59 75.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.788 0.328 . . . . 0.0 110.975 178.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 58.5 t -75.16 -33.49 28.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.255 0.55 . . . . 0.0 110.639 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.496 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 27.0 ptt180 -83.46 -7.14 59.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.139 0.495 . . . . 0.0 110.292 179.13 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 83' ' ' SER . 56.0 mt -84.43 -77.6 0.26 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.286 174.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 . . . . . 0 C--N 1.328 -0.339 0 N-CA-C 111.705 0.261 . . . . 0.0 111.705 -174.209 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ttt . . . . . 0 N--CA 1.478 0.957 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.416 ' HD2' ' HB3' ' A' ' 6' ' ' GLN . 55.9 m-85 -69.18 97.07 0.88 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.586 0.707 . . . . 0.0 110.046 171.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.6 p -104.68 -161.62 0.83 Allowed 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.561 -173.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.71 -39.81 65.54 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -175.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -61.04 -45.35 95.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.475 0.655 . . . . 0.0 110.078 178.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.423 ' HA ' ' HG2' ' A' ' 9' ' ' ARG . 13.4 mm100 -70.3 -32.16 69.81 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.973 -179.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.1 mttt -64.01 -33.71 76.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.712 0.291 . . . . 0.0 110.688 174.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.95 -36.85 84.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.869 0.366 . . . . 0.0 110.351 175.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.423 ' HG2' ' HA ' ' A' ' 6' ' ' GLN . 22.4 mmt180 -63.03 -39.11 93.78 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.454 0.645 . . . . 0.0 109.501 176.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 64.1 mt -64.57 -42.17 94.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.321 177.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -56.02 -36.98 68.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.027 178.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 19.0 m95 -64.26 -37.65 88.22 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.92 0.391 . . . . 0.0 111.187 176.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.97 -38.91 72.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.652 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 58.0 m -67.49 -42.19 83.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.054 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.418 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 28.3 ttt180 -85.04 31.01 0.56 Allowed 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.467 0.651 . . . . 0.0 110.39 178.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -61.57 -41.33 97.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.434 174.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 156.48 -27.73 0.55 Allowed Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.381 -176.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.4 tpt -78.44 68.15 4.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.486 0.66 . . . . 0.0 109.705 176.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.523 ' HA ' ' HB3' ' A' ' 22' ' ' ASP . 85.3 mt -64.77 -22.64 67.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.41 -176.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -56.75 -33.97 67.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.552 176.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.496 ' HA ' HG22 ' A' ' 24' ' ' VAL . 75.9 mt -96.04 -31.55 12.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.663 178.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.523 ' HB3' ' HA ' ' A' ' 19' ' ' LEU . 15.5 t70 -48.58 -44.73 37.12 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.186 0.517 . . . . 0.0 111.794 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.438 HG23 HG13 ' A' ' 24' ' ' VAL . 27.7 m -76.95 -11.17 13.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -176.171 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.496 HG22 ' HA ' ' A' ' 21' ' ' LEU . 33.1 m -116.14 -18.82 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -177.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 21' ' ' LEU . 69.2 mt -70.29 -39.92 77.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 O-C-N 122.13 -0.356 . . . . 0.0 111.209 -179.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.888 ' HE3' ' HA ' ' A' ' 26' ' ' MET . 19.1 mmt -54.91 -53.83 56.63 Favored Pre-proline 0 CA--C 1.538 0.512 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -174.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.403 ' HD2' ' N ' ' A' ' 26' ' ' MET . 18.7 Cg_endo -60.25 -43.99 31.43 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 121.798 1.665 . . . . 0.0 112.582 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.426 ' HD1' ' O ' ' A' ' 24' ' ' VAL . 55.9 m-85 -66.49 -39.44 88.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.826 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.476 ' HZ ' HE21 ' A' ' 41' ' ' GLN . 91.3 t80 -58.29 -48.45 80.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.509 177.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.81 -45.52 92.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.854 -177.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.488 ' HG3' ' N ' ' A' ' 32' ' ' CYS . 2.5 pt-20 -73.56 -45.34 53.95 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.958 -179.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.488 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 83.3 m -72.12 -32.34 66.86 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 122.431 -0.168 . . . . 0.0 111.246 -175.409 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -56.3 -33.38 65.49 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.025 0.44 . . . . 0.0 110.877 178.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -57.7 -26.06 61.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.973 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.2 p -109.68 -20.08 12.95 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.653 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.6 mt -96.45 118.72 33.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.832 0.349 . . . . 0.0 110.113 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.77 174.89 11.12 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.988 -174.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.26 -36.63 84.31 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -174.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.5 m -57.39 -38.89 75.0 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.258 0.551 . . . . 0.0 110.391 174.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -71.37 -45.72 62.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.887 177.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.476 HE21 ' HZ ' ' A' ' 29' ' ' PHE . 52.9 tt0 -57.18 -42.19 80.69 Favored 'General case' 0 N--CA 1.433 -1.286 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.637 178.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -57.86 -41.01 81.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.263 -177.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -69.28 -41.06 77.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.261 0.553 . . . . 0.0 109.863 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -63.89 -46.15 86.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.252 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 41' ' ' GLN . 85.0 t -61.79 -42.01 92.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.378 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.89 -34.41 67.87 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.331 177.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.414 HD21 HD13 ' A' ' 70' ' ' LEU . 56.4 tp -67.98 -44.53 76.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.037 177.241 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.0 mt -64.32 -22.07 66.83 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 112.08 -175.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -71.69 -18.64 62.16 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.162 0.506 . . . . 0.0 110.816 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.8 m -109.13 -162.76 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.556 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.23 164.88 24.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.02 0.438 . . . . 0.0 110.527 174.178 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -121.14 52.88 3.16 Favored Pre-proline 0 C--N 1.32 -0.707 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -175.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -78.64 -34.89 1.23 Allowed 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 121.424 1.416 . . . . 0.0 111.332 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.01 -46.35 89.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.591 177.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.408 ' O ' HG23 ' A' ' 59' ' ' VAL . 2.9 tt -66.19 -49.8 66.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.575 -179.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -58.21 -48.06 81.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.783 -178.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.22 -34.36 70.73 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -174.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 24.9 m95 -83.56 -27.52 29.23 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.366 -0.534 . . . . 0.0 112.186 -175.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.495 ' HA ' HG23 ' A' ' 78' ' ' VAL . 52.9 t -62.02 -41.93 92.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 121.037 0.446 . . . . 0.0 110.631 173.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 67.8 mtm -83.15 -20.42 34.77 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.226 176.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.31 51.08 4.05 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 121.022 -0.609 . . . . 0.0 113.09 174.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -162.96 91.72 0.74 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.658 -0.319 . . . . 0.0 110.395 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 160.01 176.48 32.14 Favored Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.019 178.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -107.6 167.61 9.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.94 0.4 . . . . 0.0 110.736 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 44.9 t -155.54 144.2 20.43 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 176.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -84.0 -37.72 21.84 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.086 0.47 . . . . 0.0 110.625 -177.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -102.17 105.39 16.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.548 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.7 mt -74.93 -19.53 60.09 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.919 -178.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.01 -42.63 99.74 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.558 174.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.603 ' O ' ' HG3' ' A' ' 73' ' ' MET . 85.9 mt -62.73 -47.93 81.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.079 0.466 . . . . 0.0 110.275 173.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.76 -31.35 68.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.09 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.466 ' O ' ' HG3' ' A' ' 76' ' ' LYS . . . -62.2 -45.33 93.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.21 179.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.603 ' HG3' ' O ' ' A' ' 70' ' ' LEU . 4.2 ppp? -74.03 -28.89 61.65 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.56 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.518 ' O ' HG22 ' A' ' 78' ' ' VAL . 86.9 t -67.21 -40.76 85.77 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 176.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -55.06 -38.28 67.84 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.968 177.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 72' ' ' ALA . 54.6 mttm -66.4 -34.2 77.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.573 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 71.6 mt -71.25 -42.53 74.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.911 174.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 74' ' ' VAL . 93.9 t -58.65 -34.42 51.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.918 179.055 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.9 -42.88 76.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.992 178.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.423 ' HB2' ' HE2' ' A' ' 28' ' ' PHE . 69.6 m-70 -66.38 -42.76 87.48 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 120.884 0.373 . . . . 0.0 110.52 177.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.471 ' O ' HG23 ' A' ' 85' ' ' VAL . 27.3 t-20 -63.59 -43.63 96.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.437 -179.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.2 tt -63.11 -39.84 95.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.857 178.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.0 t -63.68 -38.12 89.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.206 177.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.409 ' HE3' ' HB3' ' A' ' 84' ' ' LYS . 28.1 mtpp -58.62 -40.99 84.91 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.881 0.372 . . . . 0.0 110.353 174.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 81' ' ' ASN . 58.4 t -66.07 -42.48 91.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.835 -178.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -75.81 -24.97 55.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.023 0.439 . . . . 0.0 110.536 -179.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 64.0 tp -76.33 -45.45 32.17 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.44 178.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 N--CA 1.454 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.883 176.149 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.5 mtp . . . . . 0 N--CA 1.484 1.226 0 CA-C-O 120.933 0.397 . . . . 0.0 111.752 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.23 123.41 40.71 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 173.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.3 p -126.29 -170.36 2.18 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -171.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.21 -37.35 72.08 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -174.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -60.56 -44.13 96.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.231 0.538 . . . . 0.0 110.532 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.591 ' HA ' ' HD3' ' A' ' 9' ' ' ARG . 23.5 mp0 -66.59 -33.38 75.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.726 177.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.536 ' HA ' HD13 ' A' ' 10' ' ' ILE . 93.7 mttt -65.21 -34.84 79.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.666 0.269 . . . . 0.0 110.922 177.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.48 ' O ' ' HD1' ' A' ' 12' ' ' TRP . . . -62.24 -38.13 88.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.612 178.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.591 ' HD3' ' HA ' ' A' ' 6' ' ' GLN . 40.7 mtp180 -62.14 -37.83 86.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.94 177.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.65 HD12 ' HZ ' ' A' ' 29' ' ' PHE . 56.6 mt -66.03 -43.27 92.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.382 177.462 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -55.47 -35.37 65.44 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.698 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.548 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 15.8 m95 -58.95 -40.4 84.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.474 0.178 . . . . 0.0 111.354 177.401 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.19 -21.86 62.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.086 0.469 . . . . 0.0 111.155 -178.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 45.1 m -73.23 -22.14 60.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.808 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.548 ' HB2' ' O ' ' A' ' 12' ' ' TRP . 1.4 mpt_? -53.8 172.35 0.08 Allowed 'General case' 0 C--O 1.233 0.223 0 N-CA-C 113.515 0.932 . . . . 0.0 113.515 -174.233 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -64.74 118.83 9.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.787 -1.097 . . . . 0.0 111.534 -171.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -165.35 -48.82 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.751 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.426 178.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.662 ' HG2' ' HG ' ' A' ' 21' ' ' LEU . 23.4 tpp -144.78 95.45 2.7 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.4 mt -66.97 -26.25 66.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.116 0.484 . . . . 0.0 110.884 -177.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -62.86 -31.09 72.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.023 178.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.662 ' HG ' ' HG2' ' A' ' 18' ' ' MET . 86.7 mt -92.18 -19.19 22.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.893 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -55.86 -45.81 78.39 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.313 -178.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.2 m -81.11 -10.58 12.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.077 -176.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 52.6 t -98.82 -46.59 12.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 120.763 0.316 . . . . 0.0 110.92 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 75.7 mt -84.03 -52.01 13.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.872 -174.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.662 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 53.1 ttp -57.82 -53.64 63.67 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -172.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.662 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 32.3 Cg_exo -60.34 -36.85 85.78 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 121.864 1.709 . . . . 0.0 111.994 179.026 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -65.66 -42.92 90.77 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.911 0.386 . . . . 0.0 110.188 177.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.65 ' HZ ' HD12 ' A' ' 10' ' ' ILE . 87.9 t80 -57.12 -48.9 77.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.262 178.209 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 26' ' ' MET . 9.1 mt-10 -61.86 -35.25 77.76 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.016 0.436 . . . . 0.0 111.131 -179.39 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -68.12 -52.39 35.4 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.723 176.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.5 t -82.51 -26.98 32.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.127 -169.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -53.34 -35.58 60.37 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 122.776 0.43 . . . . 0.0 111.203 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -61.62 -34.64 76.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.731 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.2 t -88.24 -40.87 13.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.055 -177.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 71.3 mt -64.68 136.19 56.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.545 -175.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.513 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 36.3 p -81.71 164.82 21.49 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 170.682 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -50.9 -41.4 58.45 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -175.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.0 m -60.52 -45.25 94.52 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.616 0.246 . . . . 0.0 111.576 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -66.22 -40.15 90.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.59 0.709 . . . . 0.0 109.739 177.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.531 ' O ' HG21 ' A' ' 45' ' ' VAL . 96.3 mt-30 -61.7 -44.22 97.34 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.711 178.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -64.16 -44.54 91.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.607 -174.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.3 -39.81 88.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.024 0.44 . . . . 0.0 110.657 176.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.458 ' CE1' HD13 ' A' ' 77' ' ' ILE . 45.5 t80 -68.02 -40.84 82.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.495 178.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.531 HG21 ' O ' ' A' ' 41' ' ' GLN . 85.9 t -64.08 -39.25 84.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-O 120.715 0.293 . . . . 0.0 110.601 177.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.24 -36.0 72.55 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.508 176.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.694 HD22 HD11 ' A' ' 70' ' ' LEU . 78.6 mt -67.19 -39.23 86.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.972 175.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.5 mt -71.0 -37.66 72.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.174 -175.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -83.27 -14.1 53.82 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.845 0.355 . . . . 0.0 111.195 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.4 t -84.17 -169.79 2.77 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 176.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.581 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 7.5 t70 -84.94 166.93 16.38 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 175.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.512 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 11.7 p-10 -119.8 53.12 2.42 Favored Pre-proline 0 CA--C 1.541 0.601 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -174.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.581 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 6.2 Cg_endo -86.64 -55.32 0.02 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 121.605 1.537 . . . . 0.0 111.321 176.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -69.96 -32.74 71.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.371 176.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.4 tt -66.13 -49.9 65.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.707 178.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.406 ' HB2' ' O ' ' A' ' 52' ' ' ASP . 41.6 t80 -61.13 -33.01 72.7 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.124 0.488 . . . . 0.0 110.427 178.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.868 ' HB3' ' HA3' ' A' ' 63' ' ' GLY . . . -62.37 -37.41 85.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.746 -177.411 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 29.6 m95 -78.52 -31.63 47.68 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.047 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.521 ' HA ' HG22 ' A' ' 78' ' ' VAL . 81.5 t -62.84 -40.1 87.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.934 0.397 . . . . 0.0 110.692 177.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 24.3 mmt -90.96 -11.2 39.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.247 178.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.08 34.47 70.36 Favored Glycine 0 C--O 1.227 -0.285 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.687 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -126.34 24.57 6.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.155 0.503 . . . . 0.0 110.109 -173.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.868 ' HA3' ' HB3' ' A' ' 57' ' ' ALA . . . -165.28 179.41 39.78 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.396 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 44.2 mtm180 -140.19 172.2 13.08 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 122.35 0.26 . . . . 0.0 110.395 -178.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.625 ' SG ' ' HB2' ' A' ' 71' ' ' ALA . 25.7 p -142.04 171.49 13.98 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 173.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -85.64 -34.32 21.38 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -173.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -111.33 118.14 35.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.502 0.668 . . . . 0.0 111.309 -177.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.475 ' HA ' ' HB1' ' A' ' 71' ' ' ALA . 54.2 mt -75.0 -14.57 60.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.063 -175.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.79 -47.13 91.47 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.439 -0.886 . . . . 0.0 111.293 175.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.694 HD11 HD22 ' A' ' 47' ' ' LEU . 15.7 mt -71.25 -35.87 71.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.879 0.371 . . . . 0.0 110.415 174.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.625 ' HB2' ' SG ' ' A' ' 65' ' ' CYS . . . -60.64 -38.94 86.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.368 179.097 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.461 ' O ' ' HG3' ' A' ' 76' ' ' LYS . . . -58.8 -37.01 75.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 90.7 mmm -64.83 -44.55 89.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.381 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.48 ' O ' HG21 ' A' ' 78' ' ' VAL . 21.7 t -68.94 -37.1 76.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.611 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -58.92 -40.29 84.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.647 177.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' A' ' 72' ' ' ALA . 44.5 mtpt -64.92 -34.24 77.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.536 177.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.458 HD13 ' CE1' ' A' ' 44' ' ' PHE . 60.6 mt -61.58 -45.72 98.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 173.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.521 HG22 ' HA ' ' A' ' 59' ' ' VAL . 45.2 t -60.81 -41.1 87.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.851 179.334 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.13 -36.67 80.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.019 0.438 . . . . 0.0 110.749 178.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 -63.72 -42.18 97.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.05 176.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.695 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 52.8 t30 -69.93 -47.08 63.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.777 178.31 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 73.3 mt -57.03 -31.19 64.89 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.339 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.61 ' HA ' ' HG2' ' A' ' 86' ' ' ARG . 67.8 m -67.26 -42.98 83.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.489 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.695 ' HG2' ' O ' ' A' ' 81' ' ' ASN . 11.9 ptmm? -70.99 -26.76 63.28 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.373 -0.531 . . . . 0.0 109.838 177.149 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 81' ' ' ASN . 70.9 t -72.17 -43.2 66.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.926 177.04 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.61 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 25.5 ptt85 -76.19 -17.23 59.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.265 0.555 . . . . 0.0 110.492 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.464 HD21 ' HG3' ' A' ' 88' ' ' GLU . 1.7 tt -72.32 -58.82 3.1 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.493 179.055 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.464 ' HG3' HD21 ' A' ' 87' ' ' LEU . 47.4 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.779 0.323 . . . . 0.0 111.516 -178.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.3 mmt . . . . . 0 N--CA 1.487 1.393 0 N-CA-C 111.66 0.245 . . . . 0.0 111.66 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -132.77 107.09 8.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.187 0.517 . . . . 0.0 110.719 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.1 p -94.27 -168.51 1.87 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.963 177.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.76 -39.23 76.93 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.915 -178.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -60.6 -42.18 96.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.366 0.603 . . . . 0.0 111.066 -178.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.65 -47.61 77.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.253 -176.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -67.89 -30.47 69.83 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.165 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.46 ' O ' ' HB3' ' A' ' 11' ' ' LYS . . . -62.17 -42.78 99.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.069 177.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.6 mtm-85 -66.6 -32.91 74.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.968 0.413 . . . . 0.0 110.892 176.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.5 mt -65.55 -42.62 93.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.001 173.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.46 ' HB3' ' O ' ' A' ' 8' ' ' ALA . 23.6 tptm -54.43 -36.27 63.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.358 176.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -66.41 -22.64 66.23 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.764 0.316 . . . . 0.0 111.473 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.45 28.29 4.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.952 0.406 . . . . 0.0 110.749 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 p -59.94 -24.8 64.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.382 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.19 122.87 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.536 0.684 . . . . 0.0 111.943 175.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.487 ' H ' ' HD2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -93.89 128.66 40.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.153 175.029 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 176.09 -51.4 0.12 Allowed Glycine 0 N--CA 1.443 -0.842 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 92.8 mmm -130.85 117.76 19.79 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 176.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.428 ' O ' HG21 ' A' ' 23' ' ' VAL . 86.9 mt -59.8 -32.25 70.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.881 0.372 . . . . 0.0 110.975 -177.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -70.44 -34.93 73.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.217 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.6 mt -72.0 -32.04 66.82 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.022 0.439 . . . . 0.0 110.284 178.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -60.78 -32.4 71.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.557 175.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.428 HG21 ' O ' ' A' ' 19' ' ' LEU . 47.1 t -75.52 -27.3 18.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.861 178.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.523 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 98.9 t -67.35 -48.71 76.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.762 -176.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 58.4 mt -58.26 -37.56 63.63 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -173.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.705 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 50.7 ttp -58.36 -54.54 54.88 Favored Pre-proline 0 CA--C 1.543 0.689 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -170.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.705 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 3.0 Cg_endo -87.8 -31.47 0.21 Allowed 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.137 1.891 . . . . 0.0 113.12 178.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.402 ' CD2' HG22 ' A' ' 77' ' ' ILE . 16.8 m-85 -67.06 -35.57 80.12 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 121.29 -0.164 . . . . 0.0 111.404 -175.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.503 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 67.6 t80 -59.15 -48.36 81.88 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.855 0.359 . . . . 0.0 110.345 176.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -54.93 -39.79 69.21 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.555 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -71.04 -51.9 22.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.202 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.535 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 24.2 p -73.9 -29.47 62.07 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -173.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -52.25 -36.01 51.39 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.02 0.438 . . . . 0.0 110.988 178.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -61.07 -26.62 67.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.065 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.3 p -119.84 10.9 11.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.958 0.408 . . . . 0.0 111.551 -178.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 48.7 mt -95.18 -174.04 3.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.139 0.495 . . . . 0.0 110.959 176.209 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.9 m -146.46 166.97 24.82 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 177.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -58.74 -42.09 87.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.754 0.311 . . . . 0.0 110.553 -177.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.3 p -56.33 -49.9 73.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.002 175.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -65.6 -35.44 80.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.388 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.425 ' O ' HG21 ' A' ' 45' ' ' VAL . 38.4 mt-30 -66.29 -28.22 68.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.083 179.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -67.66 -45.91 73.9 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 174.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -64.94 -35.84 82.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.649 176.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.525 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 74.4 t80 -61.42 -50.07 74.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.69 178.124 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.425 HG21 ' O ' ' A' ' 41' ' ' GLN . 85.7 t -66.36 -37.94 80.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.947 0.404 . . . . 0.0 110.4 179.127 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.66 -45.06 95.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 177.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 31.2 tp -66.61 -36.42 82.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.234 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 44' ' ' PHE . 79.1 mt -62.63 -33.15 74.44 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.907 0.384 . . . . 0.0 111.567 -179.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -85.49 -13.33 49.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.794 0.331 . . . . 0.0 111.138 178.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.6 m -89.92 172.1 9.11 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.631 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.568 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 37.5 t0 -72.48 156.96 38.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.172 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.526 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 7.5 p-10 -119.92 52.14 2.15 Favored Pre-proline 0 CA--C 1.542 0.671 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -171.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.568 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 2.2 Cg_endo -82.97 -55.68 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 121.783 1.655 . . . . 0.0 111.56 177.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.418 ' O ' ' HD1' ' A' ' 58' ' ' TRP . 11.9 p-10 -69.6 -32.47 71.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.566 176.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.472 ' O ' HG23 ' A' ' 59' ' ' VAL . 8.3 tt -58.3 -49.74 76.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.888 176.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -59.71 -35.23 74.1 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.813 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.499 ' HB1' ' HA3' ' A' ' 63' ' ' GLY . . . -74.85 -30.76 61.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.98 -176.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.418 ' HD1' ' O ' ' A' ' 54' ' ' ASP . 21.1 m95 -78.77 -28.46 44.77 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.438 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 55' ' ' LEU . 89.0 t -65.4 -32.35 57.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.97 0.414 . . . . 0.0 110.536 177.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 20.0 ptp -94.86 -15.0 24.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.482 175.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.8 51.7 8.99 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.142 -0.551 . . . . 0.0 112.043 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -142.54 20.58 2.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.221 0.534 . . . . 0.0 109.965 -177.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.499 ' HA3' ' HB1' ' A' ' 57' ' ' ALA . . . -134.04 -171.92 12.72 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.263 -0.97 . . . . 0.0 113.039 -174.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.36 149.39 39.33 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -178.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 12.8 t -138.03 156.76 47.48 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 177.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -72.27 -41.31 66.86 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -173.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -116.45 137.1 52.43 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.314 -0.555 . . . . 0.0 110.52 -179.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.9 mt -76.64 -13.83 60.02 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.672 178.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.91 -48.38 82.73 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.358 178.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.402 ' O ' HG22 ' A' ' 74' ' ' VAL . 44.8 mt -67.67 -36.32 80.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.134 0.492 . . . . 0.0 110.372 176.367 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.5 -26.79 64.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.712 -0.677 . . . . 0.0 112.034 -178.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.44 -44.55 92.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.612 -177.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.495 ' HE3' ' HA ' ' A' ' 44' ' ' PHE . 27.0 ptt? -73.53 -28.91 62.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.791 0.329 . . . . 0.0 110.782 178.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.402 HG22 ' O ' ' A' ' 70' ' ' LEU . 60.4 t -66.34 -36.61 77.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.862 0.363 . . . . 0.0 110.057 177.44 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -55.1 -41.76 72.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.885 176.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -63.11 -38.87 92.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.299 0.571 . . . . 0.0 110.041 178.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.402 HG22 ' CD2' ' A' ' 28' ' ' PHE . 76.0 mt -64.86 -48.36 84.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.398 178.044 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 65.4 t -61.04 -38.37 79.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.072 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.1 -45.2 91.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.915 0.388 . . . . 0.0 111.352 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -71.89 -36.32 70.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.035 0.445 . . . . 0.0 110.348 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.401 ' O ' HG21 ' A' ' 85' ' ' VAL . 51.5 t30 -64.36 -43.82 93.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.016 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.432 ' O ' HD23 ' A' ' 82' ' ' LEU . 5.0 tt -57.43 -34.88 69.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.986 0.422 . . . . 0.0 109.882 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.536 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 46.6 t -63.57 -51.58 64.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.21 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 15.4 ptmm? -68.16 -22.84 64.83 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.972 0.415 . . . . 0.0 110.816 -177.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.401 HG21 ' O ' ' A' ' 81' ' ' ASN . 98.3 t -79.73 -32.31 14.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.446 177.064 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.409 ' HG2' ' O ' ' A' ' 83' ' ' SER . 7.0 ptt180 -80.3 -27.07 38.56 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.811 0.338 . . . . 0.0 110.477 -179.044 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 83' ' ' SER . 87.9 mt -69.55 -42.93 73.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.519 178.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 . . . . . 0 C--N 1.322 -0.629 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.74 174.079 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.4 ttm . . . . . 0 N--CA 1.476 0.849 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.643 ' HD1' ' HG2' ' A' ' 6' ' ' GLN . 88.5 m-85 -123.65 125.11 44.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.846 0.355 . . . . 0.0 111.06 -177.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.8 p -81.43 178.93 8.07 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.376 177.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.87 -45.64 82.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.792 0.329 . . . . 0.0 111.66 -176.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -67.42 -42.82 82.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.266 0.555 . . . . 0.0 110.572 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.643 ' HG2' ' HD1' ' A' ' 2' ' ' TYR . 25.3 tt0 -70.05 -39.0 75.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.508 -175.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -31.91 71.59 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.967 0.413 . . . . 0.0 110.158 177.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.615 ' O ' ' HG3' ' A' ' 11' ' ' LYS . . . -59.71 -35.75 75.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.899 177.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 -61.77 -30.83 71.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.226 0.536 . . . . 0.0 109.744 178.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 63.5 mt -73.18 -44.7 55.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.15 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.658 ' HA ' ' SG ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -66.5 -34.78 78.7 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.464 -178.582 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.407 ' HD1' ' O ' ' A' ' 8' ' ' ALA . 14.2 m95 -59.69 -39.07 83.32 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.857 0.36 . . . . 0.0 110.606 172.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.33 -40.93 42.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.597 -175.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.762 ' HB3' HD12 ' A' ' 48' ' ' LEU . 29.0 p -66.81 -28.38 68.32 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -175.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -92.81 80.13 4.69 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.43 0.633 . . . . 0.0 110.773 -178.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -139.05 165.85 26.04 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.484 174.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.66 -61.49 3.82 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.777 -0.725 . . . . 0.0 111.944 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.434 ' HE3' ' HG ' ' A' ' 21' ' ' LEU . 23.4 ptt? -156.32 139.36 15.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.057 0.456 . . . . 0.0 111.055 179.366 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.6 mt -69.61 -20.39 63.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.815 -178.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -58.85 -20.95 55.46 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.434 ' HG ' ' HE3' ' A' ' 18' ' ' MET . 31.0 mt -84.75 -14.88 46.92 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.384 178.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -57.14 -41.43 79.11 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.017 0.437 . . . . 0.0 110.731 -179.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.1 t -64.51 -33.07 60.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.837 -176.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.5 m -103.16 8.49 9.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.939 0.399 . . . . 0.0 111.855 -174.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 39.7 mm -119.06 -53.61 3.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 121.026 -0.27 . . . . 0.0 111.386 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.447 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 24.7 ttt -55.04 -54.67 47.62 Favored Pre-proline 0 CA--C 1.54 0.561 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -170.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.447 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 60.8 Cg_endo -73.76 -34.84 5.01 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 121.423 1.415 . . . . 0.0 112.808 -176.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.423 ' CE1' ' HB3' ' A' ' 80' ' ' HIS . 22.2 m-30 -70.35 -36.47 74.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.477 -179.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -56.84 -41.05 77.21 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.586 176.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 26' ' ' MET . 23.0 mt-10 -56.82 -42.76 80.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.27 0.557 . . . . 0.0 110.455 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -74.65 -50.43 17.74 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.44 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.561 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 74.0 m -61.17 -47.51 85.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.394 -176.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.418 ' HD1' ' NE2' ' A' ' 41' ' ' GLN . 93.6 t80 -58.99 -35.19 72.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.046 0.451 . . . . 0.0 111.063 -178.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -65.28 -28.21 69.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.444 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.9 m -110.89 -26.09 9.5 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -172.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 62.2 mt -80.35 165.61 22.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.21 0.528 . . . . 0.0 111.284 -175.139 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 33.4 p -102.66 162.77 12.66 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.594 177.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -60.1 -36.2 76.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.675 0.274 . . . . 0.0 111.63 -176.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.1 m -56.93 -44.56 82.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 175.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -71.34 -34.56 70.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.067 177.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.423 ' O ' HG22 ' A' ' 45' ' ' VAL . 14.0 mm100 -65.19 -31.6 72.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.224 178.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -60.2 -45.68 92.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.089 0.471 . . . . 0.0 109.769 175.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.7 -41.84 87.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.687 175.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.542 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 72.7 t80 -62.61 -46.18 89.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.266 -178.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 41' ' ' GLN . 89.7 t -65.48 -38.34 82.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 178.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.87 -38.29 72.54 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.176 0.513 . . . . 0.0 110.561 175.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.9 -43.33 88.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.918 177.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.762 HD12 ' HB3' ' A' ' 14' ' ' CYS . 68.4 mt -66.98 -30.03 70.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.509 -176.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -80.85 -13.63 58.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.196 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.9 m -95.73 175.13 6.64 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.139 0.495 . . . . 0.0 111.668 -175.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.516 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 25.4 t70 -80.34 159.45 25.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.046 174.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.5 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 7.9 p-10 -117.54 52.12 1.24 Allowed Pre-proline 0 CA--C 1.546 0.794 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -169.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.516 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 2.2 Cg_endo -83.95 -55.0 0.03 OUTLIER 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 121.702 1.601 . . . . 0.0 110.834 174.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -62.3 -36.7 82.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.82 176.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.424 ' O ' HG21 ' A' ' 59' ' ' VAL . 6.4 tt -63.34 -50.33 70.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.908 -179.123 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -61.37 -35.15 76.66 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.089 0.471 . . . . 0.0 110.671 178.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.74 -32.48 74.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.512 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -79.37 -28.07 41.95 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.187 -0.205 . . . . 0.0 111.519 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.424 HG21 ' O ' ' A' ' 55' ' ' LEU . 72.8 t -60.94 -39.57 82.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.197 0.523 . . . . 0.0 109.761 173.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.6 mmt -83.15 -22.13 33.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.112 176.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.31 48.76 6.21 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.423 177.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -142.31 27.23 1.75 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.14 0.495 . . . . 0.0 110.574 -178.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -128.91 -179.27 15.83 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.69 -177.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -127.96 164.0 23.28 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 178.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 52.9 m -144.41 136.34 26.06 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.989 174.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -70.88 -34.6 71.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.619 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.5 ' ND2' ' HG ' ' A' ' 70' ' ' LEU . 16.1 p-10 -121.41 114.94 22.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.274 0.559 . . . . 0.0 109.803 175.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 76.7 mt -70.07 -14.84 62.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.391 -176.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.08 -35.81 71.35 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.186 176.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.5 ' HG ' ' ND2' ' A' ' 67' ' ' ASN . 42.2 mt -71.28 -39.67 71.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.328 0.585 . . . . 0.0 110.69 176.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.21 -23.98 63.96 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.558 -177.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.7 -42.39 79.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.574 -179.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -72.82 -36.42 67.52 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.888 178.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 49.7 t -62.97 -37.76 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.064 0.459 . . . . 0.0 109.976 178.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -54.62 -45.8 73.78 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.821 177.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -66.45 -34.77 78.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.952 -177.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 74.2 mt -65.65 -51.12 66.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.147 176.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.4 t -62.4 -42.58 96.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.076 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.55 -36.24 75.79 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.795 0.331 . . . . 0.0 111.153 179.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.423 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 14.3 m80 -71.97 -38.11 69.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.017 0.437 . . . . 0.0 111.489 177.383 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.48 ' O ' HG21 ' A' ' 85' ' ' VAL . 10.6 t30 -67.72 -36.46 80.64 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.076 0.465 . . . . 0.0 109.981 178.089 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.5 tp -58.36 -45.31 88.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.091 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.481 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 15.7 p -70.75 -38.94 73.55 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.901 -175.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.504 ' HZ2' ' HB2' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -67.58 -29.56 68.94 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.369 178.257 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.48 HG21 ' O ' ' A' ' 81' ' ' ASN . 59.1 t -72.56 -36.31 53.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.871 177.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 83' ' ' SER . 12.2 ptt180 -73.59 -19.66 60.81 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.017 0.437 . . . . 0.0 110.235 179.438 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 54.5 tp -84.94 -52.34 6.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.822 177.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 120.913 0.387 . . . . 0.0 111.479 -176.276 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.483 1.178 0 CA-C-O 120.639 0.257 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.668 ' HH ' ' HB3' ' A' ' 41' ' ' GLN . 4.0 m-85 -128.11 132.81 48.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.241 0.543 . . . . 0.0 111.644 178.658 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 45.2 p -119.21 174.01 6.59 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.859 177.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.98 -35.1 79.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.191 0.519 . . . . 0.0 109.895 175.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -61.44 -44.05 97.8 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.053 175.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -62.1 -44.87 95.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.556 178.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.439 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 82.6 mttt -59.15 -37.87 78.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.859 176.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.2 -42.97 99.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.104 -177.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -61.68 -39.83 92.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.176 0.512 . . . . 0.0 110.216 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.9 mt -69.49 -42.44 80.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.584 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.617 ' HA ' ' SG ' ' A' ' 14' ' ' CYS . 99.5 mttt -58.49 -35.96 73.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.329 176.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.0 m95 -65.59 -31.94 73.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.833 0.349 . . . . 0.0 111.108 176.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.65 -6.39 59.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.593 -178.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.617 ' SG ' ' HA ' ' A' ' 11' ' ' LYS . 71.0 m -66.37 -38.27 87.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.873 0.368 . . . . 0.0 110.812 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -84.72 78.44 9.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.913 0.387 . . . . 0.0 110.677 176.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.1 tpt180 -76.58 -33.74 58.46 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.1 177.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 169.15 -46.69 0.22 Allowed Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.505 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.1 tpt -65.6 102.6 0.74 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.927 0.394 . . . . 0.0 110.191 177.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.7 mt -67.66 -29.86 69.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.416 -174.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -66.46 -20.45 66.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.844 0.354 . . . . 0.0 110.939 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.7 mt -89.33 -7.01 56.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.448 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -62.97 -40.89 99.09 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.289 0.566 . . . . 0.0 110.532 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.6 t -78.8 -10.55 12.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.404 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.505 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 57.4 t -97.84 -61.8 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.352 -177.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 66.8 mt -60.13 -40.53 83.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -172.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.776 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 25.3 ttt -61.03 -54.8 50.71 Favored Pre-proline 0 CA--C 1.54 0.569 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -174.145 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.776 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 12.4 Cg_exo -72.11 -37.1 5.01 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 121.817 1.678 . . . . 0.0 112.235 177.081 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -62.34 -34.27 76.33 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.144 178.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.425 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 32.5 t80 -55.75 -47.77 76.41 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 174.072 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -65.21 -34.84 79.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.056 0.455 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 27' ' ' PRO . 72.4 mt-10 -67.91 -49.21 63.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.474 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.541 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 24.0 p -73.57 -36.26 65.56 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.294 -0.162 . . . . 0.0 111.161 -178.072 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -52.28 -36.47 52.93 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.354 0.597 . . . . 0.0 110.516 175.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -68.72 -19.76 64.37 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.891 -178.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.2 m -117.44 -5.48 11.24 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -171.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 79.7 mt -110.47 -179.95 3.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.83 0.348 . . . . 0.0 111.083 -175.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.73 -179.0 5.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.24 174.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.442 ' HA ' HE21 ' A' ' 41' ' ' GLN . 5.5 mm-40 -51.63 -43.7 62.7 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 122.977 0.511 . . . . 0.0 112.026 -171.389 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.6 p -55.8 -51.04 68.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.589 -178.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -71.23 -43.52 67.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.29 0.567 . . . . 0.0 110.162 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.668 ' HB3' ' HH ' ' A' ' 2' ' ' TYR . 22.8 mt-30 -58.2 -40.57 81.92 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.848 -178.233 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -66.57 -43.21 85.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.112 0.482 . . . . 0.0 110.451 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -65.39 -35.5 81.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.967 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.534 ' HA ' ' HE3' ' A' ' 73' ' ' MET . 80.4 t80 -64.96 -49.71 69.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.022 177.339 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.471 HG21 ' O ' ' A' ' 41' ' ' GLN . 89.8 t -61.35 -44.28 98.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.849 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.8 -39.44 81.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.511 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.685 HD22 HD21 ' A' ' 70' ' ' LEU . 42.1 tp -67.26 -36.83 82.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.907 -179.153 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 44' ' ' PHE . 93.0 mt -64.04 -22.3 66.87 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.59 -177.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -78.0 -13.1 60.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.725 0.298 . . . . 0.0 111.177 179.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.4 m -99.32 170.62 8.52 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.696 -179.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.513 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 27.3 t70 -67.94 159.65 30.15 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 174.192 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.509 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 12.3 p-10 -118.88 52.46 1.72 Allowed Pre-proline 0 CA--C 1.544 0.721 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 -170.041 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.513 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 9.3 Cg_endo -86.2 -51.43 0.03 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 121.855 1.703 . . . . 0.0 110.98 174.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.43 ' OD1' ' HD2' ' A' ' 53' ' ' PRO . 18.4 p-10 -70.08 -32.84 71.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.023 176.145 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.464 ' O ' HG22 ' A' ' 59' ' ' VAL . 7.1 tt -60.23 -50.4 73.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.437 175.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -63.73 -33.3 75.33 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.335 178.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.545 ' HB2' ' HA3' ' A' ' 63' ' ' GLY . . . -59.96 -45.82 91.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.741 -178.14 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -74.18 -28.76 61.44 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.386 -178.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 55' ' ' LEU . 95.6 t -66.64 -45.0 89.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-O 120.733 0.302 . . . . 0.0 110.523 175.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.5 ptm -78.29 -18.46 55.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.198 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.28 39.42 8.43 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.366 178.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -153.41 88.74 1.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.545 ' HA3' ' HB2' ' A' ' 57' ' ' ALA . . . 166.89 -174.44 42.23 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.148 -1.025 . . . . 0.0 113.275 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -140.44 170.52 15.66 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 122.752 0.421 . . . . 0.0 110.184 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 46.5 t -158.24 160.48 37.16 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -85.01 -33.96 22.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.743 -176.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -119.09 121.21 39.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.932 0.396 . . . . 0.0 110.408 -175.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 63.8 mt -75.34 -13.64 60.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.927 -177.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.96 -37.55 91.48 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.751 176.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.685 HD21 HD22 ' A' ' 47' ' ' LEU . 59.8 mt -68.07 -35.68 78.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.165 0.507 . . . . 0.0 110.682 175.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.45 -31.74 70.24 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.794 -178.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.8 -44.05 81.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.623 -177.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.534 ' HE3' ' HA ' ' A' ' 44' ' ' PHE . 27.1 ptt? -73.77 -28.36 61.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.657 0.265 . . . . 0.0 110.858 -179.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 70' ' ' LEU . 89.5 t -62.97 -38.48 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.117 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.456 178.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -54.75 -41.74 70.79 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.9 177.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.4 mmtt -69.0 -39.44 79.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.46 -178.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 44.9 mm -62.93 -51.01 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.375 177.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 95.5 t -61.54 -42.7 95.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.047 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.77 -46.06 90.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.863 0.363 . . . . 0.0 111.226 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.44 -35.7 71.01 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.034 0.445 . . . . 0.0 110.439 -178.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.545 ' O ' HG22 ' A' ' 85' ' ' VAL . 64.3 t30 -69.63 -36.03 75.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.435 179.072 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 tt -54.08 -40.56 67.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.675 -172.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.1 p -66.92 -48.03 69.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.818 0.342 . . . . 0.0 111.552 -175.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -69.42 -24.19 63.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.791 -179.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.545 HG22 ' O ' ' A' ' 81' ' ' ASN . 85.7 t -74.69 -54.62 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.08 0.467 . . . . 0.0 110.776 176.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -70.39 -10.23 58.5 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.065 -175.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 38.9 tp -60.37 -42.48 95.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.325 175.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 . . . . . 0 N--CA 1.463 0.192 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.825 -178.26 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.403 ' H3 ' ' CD ' ' A' ' 38' ' ' GLU . 26.1 ttt . . . . . 0 N--CA 1.477 0.902 0 CA-C-O 120.892 0.377 . . . . 0.0 110.094 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.505 ' CE2' ' HB3' ' A' ' 6' ' ' GLN . 0.5 OUTLIER -110.0 113.83 26.86 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.719 -177.161 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.45 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 67.8 p -72.22 169.08 16.9 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.865 -171.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.47 -31.22 72.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.727 178.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -64.21 -41.58 96.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.859 175.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.505 ' HB3' ' CE2' ' A' ' 2' ' ' TYR . 15.9 mm100 -70.07 -30.19 67.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.422 177.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 3' ' ' THR . 35.2 mmtm -56.79 -39.05 73.4 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.078 0.465 . . . . 0.0 110.397 176.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.46 -36.39 80.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.937 179.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -61.21 -35.36 76.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.659 -178.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.8 mt -71.16 -47.57 60.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.5 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.85 -38.43 90.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.576 -177.284 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -71.79 -22.28 61.6 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -99.31 -20.01 16.75 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.513 0.561 . . . . 0.0 112.513 -175.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.8 p -73.3 -26.81 61.22 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.832 0.348 . . . . 0.0 111.473 -176.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.68 166.82 20.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.975 177.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 16' ' ' ARG . 0.1 OUTLIER 75.38 154.8 0.16 Allowed 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.941 0.776 . . . . 0.0 110.831 -177.045 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.402 ' N ' ' HG3' ' A' ' 16' ' ' ARG . . . 91.73 -65.79 2.33 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 110.556 -1.017 . . . . 0.0 110.556 -178.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.609 ' HA ' ' HE2' ' A' ' 18' ' ' MET . 0.0 OUTLIER -144.37 95.59 2.74 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 174.377 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.5 mt -60.84 -29.56 69.58 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -172.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -66.63 -29.8 69.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.727 0.299 . . . . 0.0 111.183 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.562 ' O ' HG12 ' A' ' 25' ' ' ILE . 76.5 mt -72.15 -33.62 67.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.108 -178.42 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -51.15 -37.26 45.24 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.041 0.448 . . . . 0.0 111.49 -179.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 36.0 t -61.74 -31.87 52.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.676 -177.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.411 ' C ' ' HD2' ' A' ' 27' ' ' PRO . 27.0 m -105.9 -24.32 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -176.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.562 HG12 ' O ' ' A' ' 21' ' ' LEU . 29.1 mm -59.25 -47.24 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 N-CA-C 111.536 0.199 . . . . 0.0 111.536 -178.098 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.635 ' HB2' ' HD3' ' A' ' 27' ' ' PRO . 79.1 mtp -61.28 -52.57 69.98 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -178.125 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.635 ' HD3' ' HB2' ' A' ' 26' ' ' MET . 53.2 Cg_exo -55.93 -41.24 79.16 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.034 1.823 . . . . 0.0 112.803 174.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -62.99 -36.57 83.99 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 121.304 -0.158 . . . . 0.0 111.209 178.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.614 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 88.4 t80 -61.27 -38.86 88.27 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 121.26 -0.176 . . . . 0.0 110.586 178.016 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -59.76 -45.35 92.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.555 0.693 . . . . 0.0 110.17 177.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -66.66 -51.33 57.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.6 -1.182 . . . . 0.0 111.841 -178.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.614 ' SG ' ' HA ' ' A' ' 29' ' ' PHE . 24.3 p -73.44 -24.59 60.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.546 -174.454 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -53.16 -35.44 59.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.322 177.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -63.28 -23.74 67.56 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.428 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.2 m -113.06 -7.01 13.69 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -174.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.5 HD23 ' HG2' ' A' ' 40' ' ' GLU . 70.5 mt -112.36 155.69 23.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.838 0.351 . . . . 0.0 111.189 -176.005 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.8 p -115.65 -172.9 2.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.325 177.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.403 ' CD ' ' H3 ' ' A' ' 1' ' ' MET . 64.7 mm-40 -55.32 -40.03 70.67 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.213 0.32 . . . . 0.0 111.52 -176.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.0 p -59.23 -50.35 74.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.221 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.5 ' HG2' HD23 ' A' ' 36' ' ' LEU . 4.7 mp0 -65.52 -37.8 87.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.131 0.491 . . . . 0.0 110.057 178.115 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.459 ' O ' HG22 ' A' ' 45' ' ' VAL . 85.5 mt-30 -61.42 -40.95 96.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.345 178.494 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -66.47 -43.81 84.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.633 0.254 . . . . 0.0 110.831 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.471 ' HB3' HD22 ' A' ' 70' ' ' LEU . 7.1 m-20 -60.07 -40.55 89.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.036 0.445 . . . . 0.0 110.675 176.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.433 ' HB2' ' SD ' ' A' ' 73' ' ' MET . 75.4 t80 -63.84 -48.46 76.66 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.804 179.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 41' ' ' GLN . 90.1 t -62.86 -36.4 75.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.99 179.018 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.89 -36.01 78.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.003 0.43 . . . . 0.0 110.627 177.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 47' ' ' LEU . 20.5 mt -68.02 -37.52 81.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.166 176.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.0 mt -66.28 -21.81 66.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.943 0.402 . . . . 0.0 111.641 -176.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -75.1 -13.02 60.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.941 0.401 . . . . 0.0 110.999 176.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.4 m -123.53 -165.57 1.35 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.073 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -80.11 -175.66 5.14 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 172.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -119.25 53.82 2.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.95 -55.09 0.22 Allowed 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 121.361 1.374 . . . . 0.0 112.833 -171.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -70.04 -35.02 73.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.678 0.275 . . . . 0.0 110.672 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.603 ' HG ' HG21 ' A' ' 74' ' ' VAL . 6.6 tt -62.81 -49.94 72.95 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 178.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -61.17 -38.03 85.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.388 0.613 . . . . 0.0 110.156 178.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.748 ' HB3' ' HA3' ' A' ' 63' ' ' GLY . . . -60.83 -44.79 96.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.054 -177.379 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 14.6 m95 -72.43 -28.84 63.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.557 0.218 . . . . 0.0 111.203 -178.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 55' ' ' LEU . 93.0 t -66.76 -43.67 89.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.973 0.416 . . . . 0.0 110.3 174.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 95.3 mmm -77.98 -19.18 54.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.116 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.24 29.04 34.74 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.186 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -145.72 87.79 1.8 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 -179.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.748 ' HA3' ' HB3' ' A' ' 57' ' ' ALA . . . 159.72 168.77 22.16 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 119.918 -1.134 . . . . 0.0 113.339 175.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -120.26 137.0 54.47 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 46.1 t -93.45 150.48 20.42 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 -178.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -59.81 -40.9 89.95 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 123.762 0.664 . . . . 0.0 111.167 -177.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -151.0 156.99 42.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.007 177.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 32.3 mt -75.73 -14.26 60.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.511 -176.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.76 -47.01 92.95 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.766 -0.73 . . . . 0.0 111.517 173.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.735 ' HA ' ' HE2' ' A' ' 73' ' ' MET . 97.9 mt -67.37 -44.08 79.84 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.069 0.461 . . . . 0.0 110.172 175.635 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.32 -29.61 69.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.536 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.573 ' O ' ' HG2' ' A' ' 76' ' ' LYS . . . -60.08 -41.41 92.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.902 178.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.735 ' HE2' ' HA ' ' A' ' 70' ' ' LEU . 60.9 mtm -63.59 -44.79 93.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.156 0.503 . . . . 0.0 109.862 178.528 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.603 HG21 ' HG ' ' A' ' 55' ' ' LEU . 37.0 t -61.66 -41.19 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.605 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -58.15 -40.15 80.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.415 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 57.2 mmtt -67.63 -40.93 84.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.076 0.465 . . . . 0.0 110.234 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 74.1 mt -64.85 -45.56 94.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.206 177.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.428 HG21 ' O ' ' A' ' 74' ' ' VAL . 99.0 t -62.04 -39.41 83.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.736 178.126 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.63 -43.05 97.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.968 0.413 . . . . 0.0 110.816 178.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -71.18 -36.17 71.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.225 0.536 . . . . 0.0 110.148 178.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.427 ' O ' HG23 ' A' ' 85' ' ' VAL . 55.8 t30 -65.65 -33.72 76.55 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.842 178.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 31.7 tp -53.67 -38.9 64.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.043 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.0 t -65.6 -36.74 84.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.261 176.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -65.45 -33.64 76.41 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.186 176.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 81' ' ' ASN . 59.3 t -64.61 -36.52 77.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.383 178.071 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -76.63 -48.21 19.8 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.073 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 tt -64.57 -50.71 66.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.182 0.515 . . . . 0.0 109.899 -179.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 . . . . . 0 C--N 1.323 -0.587 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.625 179.626 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.638 0.256 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.542 ' CE2' ' HB3' ' A' ' 41' ' ' GLN . 86.1 m-85 -122.41 145.46 48.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.895 0.379 . . . . 0.0 110.827 -178.125 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 p -138.12 -170.67 2.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.863 -178.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.67 -45.63 93.42 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -174.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -66.91 -36.71 82.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.153 0.502 . . . . 0.0 110.203 -178.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.481 ' O ' HG13 ' A' ' 10' ' ' ILE . 17.8 mm-40 -59.25 -38.28 79.65 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.819 175.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -57.48 -38.1 73.98 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.904 0.383 . . . . 0.0 110.698 178.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.69 -42.79 85.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.317 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.422 ' HD2' ' OE1' ' A' ' 6' ' ' GLN . 75.0 mtt180 -64.51 -36.79 85.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.39 178.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 6' ' ' GLN . 88.0 mt -64.46 -43.29 96.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.3 176.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -60.28 -35.23 75.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.692 177.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -64.53 -23.93 67.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.796 0.331 . . . . 0.0 111.4 176.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.32 12.24 18.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.478 -179.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.4 p -67.29 -26.34 66.49 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 176.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 71.51 108.08 0.06 Allowed 'General case' 0 CA--C 1.528 0.129 0 O-C-N 124.185 0.928 . . . . 0.0 110.645 177.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.72 132.77 54.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.464 -177.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 168.31 -44.41 0.23 Allowed Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.986 -0.626 . . . . 0.0 111.711 -177.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.405 ' HE2' ' HB2' ' A' ' 20' ' ' GLU . 24.5 ptm -153.56 138.49 17.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.796 0.331 . . . . 0.0 110.132 175.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.3 mt -81.56 -23.0 37.46 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.347 -175.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.405 ' HB2' ' HE2' ' A' ' 18' ' ' MET . 5.9 mm-40 -62.08 -20.85 64.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.331 -177.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 28.1 mt -81.7 -40.32 22.95 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.914 177.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -61.72 -42.26 98.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.945 0.402 . . . . 0.0 110.924 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.0 m -72.4 -10.78 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -175.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.0 m -106.37 -14.91 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.484 -0.486 . . . . 0.0 111.339 177.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 73.6 mt -94.26 -57.29 4.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.511 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.653 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 27.3 ttt -61.55 -53.06 65.14 Favored Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -173.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.653 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 48.6 Cg_exo -58.62 -30.28 91.64 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 121.978 1.785 . . . . 0.0 112.169 177.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 76' ' ' LYS . 92.6 t80 -69.2 -45.25 70.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.101 178.431 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -60.83 -39.71 90.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.468 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.3 -41.17 79.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.962 0.411 . . . . 0.0 111.587 179.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -83.22 -47.14 11.87 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.733 -178.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.5 t -81.31 -17.39 49.43 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.216 -169.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.538 ' HE1' ' HB2' ' A' ' 2' ' ' TYR . 67.7 t80 -48.94 -39.09 24.96 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 122.658 0.383 . . . . 0.0 111.941 -177.487 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -69.2 -23.71 63.94 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.785 0.326 . . . . 0.0 111.625 -178.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.5 m -101.72 -23.86 14.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.733 0.302 . . . . 0.0 111.535 -176.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.413 ' HB3' ' HG3' ' A' ' 41' ' ' GLN . 91.7 mt -72.13 136.06 46.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.959 0.409 . . . . 0.0 111.171 -178.098 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 61.2 p -84.41 163.96 19.19 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.294 176.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.61 -40.08 74.72 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.452 176.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.8 m -58.21 -51.93 67.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.086 178.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -61.9 -48.08 82.08 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.622 0.725 . . . . 0.0 110.119 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.542 ' HB3' ' CE2' ' A' ' 2' ' ' TYR . 14.4 mt-30 -61.05 -35.14 76.15 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.762 -1.108 . . . . 0.0 112.499 -175.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -75.11 -46.34 35.16 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.824 0.345 . . . . 0.0 110.975 -178.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -69.31 -33.58 73.37 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.289 -177.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.443 ' HD1' ' HB3' ' A' ' 73' ' ' MET . 70.0 t80 -61.56 -50.25 73.38 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.803 177.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.7 t -70.01 -38.6 75.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.759 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.68 -32.11 68.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.567 178.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.499 HD12 HD12 ' A' ' 70' ' ' LEU . 59.5 tp -64.94 -39.63 93.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.286 -179.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.0 mt -69.25 -17.99 63.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.198 -173.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -68.27 -40.34 81.87 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -176.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.5 m -124.29 113.31 18.07 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.398 -179.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 t70 51.21 -160.3 0.09 Allowed 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.582 176.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.518 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 9.4 p-10 -155.64 52.58 0.7 Allowed Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.121 176.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.518 ' HD3' ' N ' ' A' ' 52' ' ' ASP . 3.5 Cg_exo -75.02 -48.68 0.16 Allowed 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.307 2.005 . . . . 0.0 112.53 -171.118 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -66.62 -34.43 77.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.194 0.521 . . . . 0.0 110.053 178.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.3 tt -71.5 -51.75 21.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.069 -178.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -56.81 -39.12 73.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.051 178.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.23 -52.05 66.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.32 -176.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.506 ' HB2' HG11 ' A' ' 74' ' ' VAL . 18.2 m95 -77.9 -31.09 50.99 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.585 -174.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 77.9 t -68.86 -45.58 80.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 110.91 177.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.2 mmt -82.6 -13.54 56.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.897 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.3 47.27 90.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.832 178.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -144.03 28.46 1.39 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.439 0.161 . . . . 0.0 111.1 -175.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -168.6 -165.65 26.35 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 119.715 -1.231 . . . . 0.0 113.548 -177.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -141.8 158.96 43.16 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 -178.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.571 ' SG ' ' HB3' ' A' ' 71' ' ' ALA . 28.4 p -105.61 166.18 10.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.663 0.268 . . . . 0.0 110.401 -179.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -78.48 -47.6 17.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.939 176.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -126.65 149.72 49.36 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 178.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 16.0 mt -77.4 -14.97 59.59 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -178.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.34 -47.76 89.5 Favored Glycine 0 CA--C 1.516 0.13 0 C-N-CA 120.537 -0.84 . . . . 0.0 111.473 176.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.499 HD12 HD12 ' A' ' 47' ' ' LEU . 40.1 mt -66.62 -35.0 79.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.957 0.408 . . . . 0.0 110.243 173.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.571 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -62.61 -38.04 88.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.028 179.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.18 -35.22 79.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.897 0.379 . . . . 0.0 110.615 177.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.85 ' HE2' ' HA ' ' A' ' 73' ' ' MET . 19.5 mmt -71.24 -46.74 60.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.43 177.404 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.506 HG11 ' HB2' ' A' ' 58' ' ' TRP . 61.2 t -64.04 -37.98 81.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.853 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -54.95 -45.94 74.95 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.072 177.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 96.2 mttt -65.62 -34.42 78.19 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.625 178.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 73' ' ' MET . 71.9 mt -64.94 -47.56 87.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.18 175.089 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.489 HG22 ' O ' ' A' ' 74' ' ' VAL . 99.1 t -59.02 -46.42 91.71 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.838 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.59 -41.16 80.63 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.218 0.532 . . . . 0.0 110.732 178.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -69.55 -38.46 77.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.523 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.424 ' O ' HG21 ' A' ' 85' ' ' VAL . 63.7 t30 -69.47 -45.93 67.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 179.335 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 69.1 mt -56.51 -30.68 63.3 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 121.0 0.429 . . . . 0.0 110.776 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.656 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 49.5 m -65.4 -49.43 69.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.402 178.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.461 ' HA ' HD13 ' A' ' 87' ' ' LEU . 17.4 ptmt -69.38 -22.92 63.68 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.521 -0.471 . . . . 0.0 110.861 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.424 HG21 ' O ' ' A' ' 81' ' ' ASN . 84.2 t -76.74 -42.55 33.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.805 0.336 . . . . 0.0 110.495 176.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.51 ' HG2' ' O ' ' A' ' 83' ' ' SER . 38.7 ptt180 -72.24 -15.0 61.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.967 -178.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' ' 83' ' ' SER . 52.4 mt -64.49 -39.69 94.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.408 176.524 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 . . . . . 0 N--CA 1.465 0.291 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -176.581 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.535 0.207 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.505 ' OH ' HD12 ' A' ' 10' ' ' ILE . 0.5 OUTLIER 69.83 159.78 0.19 Allowed 'General case' 0 C--O 1.234 0.245 0 O-C-N 124.146 0.904 . . . . 0.0 112.259 174.653 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.1 p -136.95 155.27 49.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.486 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.9 -26.59 68.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.334 0.588 . . . . 0.0 109.832 173.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -61.34 -44.93 96.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.625 176.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.571 ' OE1' ' HD2' ' A' ' 9' ' ' ARG . 6.5 tp-100 -65.63 -37.72 87.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.498 177.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -59.99 -34.39 73.26 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.285 178.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.86 -36.87 85.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.045 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.571 ' HD2' ' OE1' ' A' ' 6' ' ' GLN . 80.2 mtt180 -63.58 -36.95 85.49 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.078 0.466 . . . . 0.0 110.111 178.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.505 HD12 ' OH ' ' A' ' 2' ' ' TYR . 62.8 mt -64.67 -44.66 96.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.305 177.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -55.67 -40.71 72.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.31 -178.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.0 m95 -72.7 -30.24 64.05 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.65 -34.8 24.96 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -171.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.0 p -66.76 -24.28 66.19 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.033 0.444 . . . . 0.0 111.232 -177.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.427 HH21 ' CG ' ' A' ' 22' ' ' ASP . 2.0 mmp_? -66.51 92.09 0.2 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.692 -178.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -103.65 -174.31 2.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.85 173.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.6 -4.86 90.18 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.163 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 22.7 ptp -118.9 132.9 56.11 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 176.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.2 mt -74.27 -24.93 59.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.736 -173.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -55.98 -41.64 75.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.759 -176.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.5 mt -73.8 -46.2 46.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.893 0.377 . . . . 0.0 110.729 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.427 ' CG ' HH21 ' A' ' 15' ' ' ARG . 22.8 t70 -61.66 -39.42 91.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.083 -177.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.6 p -74.4 -20.25 17.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.833 -176.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.6 m -99.93 10.34 7.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 121.057 0.455 . . . . 0.0 110.586 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 84.6 mt -120.46 -49.07 3.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.961 176.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.718 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 35.5 ttm -53.46 -56.01 29.01 Favored Pre-proline 0 CA--C 1.539 0.531 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -173.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.718 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 94.2 Cg_endo -89.79 -21.25 1.07 Allowed 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 121.868 1.712 . . . . 0.0 112.648 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.617 ' CE2' HG12 ' A' ' 77' ' ' ILE . 82.4 t80 -69.78 -37.02 76.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.769 -178.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -58.4 -34.89 71.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.599 177.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.431 ' OE2' ' HA ' ' A' ' 27' ' ' PRO . 31.0 mt-10 -57.7 -38.66 75.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.33 0.586 . . . . 0.0 110.443 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -85.01 -48.11 9.56 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.568 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 10.8 t -71.86 -22.6 61.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.812 -171.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -54.73 -35.65 63.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.131 0.491 . . . . 0.0 110.912 178.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -64.88 -27.83 69.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.009 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.8 t -102.25 -5.37 24.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.98 -176.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 73.3 mt -103.41 126.76 50.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.975 0.417 . . . . 0.0 111.566 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.401 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 22.3 p -90.02 164.83 14.36 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.164 175.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -56.53 -43.02 79.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.658 0.266 . . . . 0.0 111.038 -177.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.4 t -57.56 -42.02 82.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.055 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -70.79 -40.92 72.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.573 0.701 . . . . 0.0 109.887 177.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.471 ' O ' HG21 ' A' ' 45' ' ' VAL . 35.1 mt-30 -65.27 -35.49 81.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.82 -177.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.07 -46.7 89.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.019 0.437 . . . . 0.0 111.047 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -69.57 -32.1 70.67 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.823 -178.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.551 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 83.6 t80 -66.65 -49.34 66.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.726 176.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.471 HG21 ' O ' ' A' ' 41' ' ' GLN . 90.1 t -65.27 -36.7 78.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 110.745 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.97 -38.87 80.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.061 0.457 . . . . 0.0 110.918 176.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 22.8 tp -67.42 -38.54 84.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.665 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 44' ' ' PHE . 96.6 mt -60.48 -23.19 64.29 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -169.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -73.24 -14.78 61.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.001 0.429 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.8 m -116.55 -160.91 0.78 Allowed 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 176.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.447 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 33.1 m-20 -108.82 177.2 4.84 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 174.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.777 ' HB2' ' HB2' ' A' ' 55' ' ' LEU . 0.5 OUTLIER -123.49 63.79 27.19 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.592 -178.103 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.447 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 24.3 Cg_exo -62.73 -52.99 1.92 Allowed 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.321 2.014 . . . . 0.0 112.274 -177.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.404 ' O ' ' HD1' ' A' ' 58' ' ' TRP . 55.2 m-20 -69.3 -34.09 74.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.208 0.528 . . . . 0.0 110.146 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.777 ' HB2' ' HB2' ' A' ' 52' ' ' ASP . 67.4 mt -70.94 -38.33 72.86 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.17 -178.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -57.36 -37.15 72.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.481 0.657 . . . . 0.0 109.915 174.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.47 -26.53 64.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.298 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.404 ' HD1' ' O ' ' A' ' 54' ' ' ASP . 12.9 m95 -67.16 -35.99 80.87 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.904 0.383 . . . . 0.0 110.204 174.258 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 43.1 t -66.91 -31.48 53.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.446 177.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.438 ' HE1' ' HB2' ' A' ' 93' ' ' HIS . 92.4 mmm -89.06 -11.3 44.48 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.959 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.05 46.43 6.64 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.772 177.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -168.4 47.72 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -120.63 -179.65 16.28 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.338 -0.934 . . . . 0.0 113.472 -175.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -140.0 122.47 16.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.092 0.473 . . . . 0.0 110.657 178.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 49.0 t -142.66 108.51 5.15 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -79.94 -33.74 39.42 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.747 -173.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -86.85 96.75 10.32 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.647 0.737 . . . . 0.0 109.306 178.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.1 mt -67.33 -6.81 20.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.123 -174.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.45 -41.54 99.56 Favored Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 170.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.477 ' O ' ' HG3' ' A' ' 73' ' ' MET . 13.6 mt -71.67 -48.77 45.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.075 0.464 . . . . 0.0 110.465 174.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.74 -27.43 67.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.509 -178.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.3 -50.54 73.59 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.103 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.571 ' O ' HG13 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -72.12 -29.36 64.0 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.35 -178.042 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.617 HG22 HD21 ' A' ' 55' ' ' LEU . 96.5 t -63.85 -45.82 96.01 Favored 'Isoleucine or valine' 0 C--O 1.231 0.105 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 175.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -57.18 -41.68 79.77 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.49 177.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -65.85 -33.99 77.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.739 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.617 HG12 ' CE2' ' A' ' 28' ' ' PHE . 73.4 mt -69.09 -48.14 71.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.918 0.389 . . . . 0.0 110.371 174.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.54 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 95.2 t -58.95 -39.35 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.493 -177.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.63 -38.72 72.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.344 . . . . 0.0 111.31 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -72.6 -35.65 67.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.606 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -68.85 -35.69 77.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.172 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 81.3 mt -55.51 -33.73 64.0 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -178.034 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.687 ' HA ' ' HG2' ' A' ' 86' ' ' ARG . 62.5 p -73.67 -31.1 63.29 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.752 -179.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -65.83 -42.72 90.23 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 173.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.94 -43.16 92.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.938 -177.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.687 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 14.9 ptm180 -72.99 -24.88 60.82 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.188 -179.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.665 HD23 ' HG3' ' A' ' 88' ' ' GLU . 1.0 OUTLIER -77.01 -75.59 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.752 -178.71 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.665 ' HG3' HD23 ' A' ' 87' ' ' LEU . 42.6 mt-10 -123.64 18.89 9.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.243 -176.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 70.41 -161.72 0.15 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.527 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 31.0 p-80 -143.84 167.82 21.4 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 -176.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -128.11 119.57 25.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.339 0.59 . . . . 0.0 111.076 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 178.3 -65.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.443 ' O ' ' HB2' ' A' ' 94' ' ' HIS . 1.4 m-70 -144.71 124.53 13.41 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 165.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.443 ' HB2' ' O ' ' A' ' 93' ' ' HIS . 52.9 m-70 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.985 -169.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -137.24 119.26 15.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.998 0.428 . . . . 0.0 110.924 -176.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.6 p -99.15 -172.31 2.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.851 176.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.29 -30.69 70.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.067 0.461 . . . . 0.0 110.524 175.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -71.8 -41.18 68.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.392 178.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.532 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 17.6 mm-40 -69.64 -32.96 71.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.145 176.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -66.42 -34.03 77.05 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.832 177.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.569 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . . . -64.71 -40.53 95.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.913 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.532 ' HG2' ' O ' ' A' ' 6' ' ' GLN . 16.6 ptm180 -69.64 -28.97 66.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.083 0.468 . . . . 0.0 110.182 179.118 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 78.0 mt -74.19 -48.63 36.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.781 176.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.569 ' HG2' ' HA ' ' A' ' 8' ' ' ALA . 22.3 ptmt -62.3 -36.21 81.42 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.286 -178.073 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 16.7 m95 -72.3 -21.74 61.3 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.205 -0.309 . . . . 0.0 111.703 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.39 -49.4 11.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.706 0.288 . . . . 0.0 111.099 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.7 p -73.67 -46.42 46.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.922 0.391 . . . . 0.0 111.115 -178.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.478 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 28.0 ttm180 -81.58 169.0 17.6 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.478 ' HB2' ' O ' ' A' ' 15' ' ' ARG . 8.7 mpt_? 72.29 -56.61 0.64 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 122.893 0.477 . . . . 0.0 109.874 -172.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.97 -57.7 6.14 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 121.075 -0.583 . . . . 0.0 111.866 176.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.541 ' HB3' ' HB2' ' A' ' 21' ' ' LEU . 25.3 mmt -115.51 97.96 6.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.762 0.315 . . . . 0.0 110.976 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 72.1 mt -81.19 -25.89 36.41 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.979 0.419 . . . . 0.0 110.644 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -81.03 -31.8 34.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.981 178.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.541 ' HB2' ' HB3' ' A' ' 18' ' ' MET . 90.4 mt -94.49 -8.92 37.02 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -173.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -56.54 -38.37 71.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.295 0.569 . . . . 0.0 110.47 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.3 t -61.19 -28.06 43.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.695 -177.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.447 ' HA ' ' CD1' ' A' ' 28' ' ' PHE . 34.8 m -105.19 6.79 10.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.42 -177.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 21' ' ' LEU . 82.8 mt -112.47 -65.2 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.538 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 64.6 mtp -58.95 -54.4 56.81 Favored Pre-proline 0 N--CA 1.466 0.368 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -172.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -68.36 -34.85 19.87 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 121.424 1.416 . . . . 0.0 112.33 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.585 ' HZ ' ' HD3' ' A' ' 84' ' ' LYS . 48.0 m-85 -69.46 -36.93 77.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.204 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -61.76 -41.4 97.64 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 177.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.538 ' HG3' ' O ' ' A' ' 26' ' ' MET . 32.5 mt-10 -61.56 -35.32 77.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.63 0.729 . . . . 0.0 110.426 178.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -72.33 -51.52 20.31 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.027 177.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.628 ' HG ' HG12 ' A' ' 77' ' ' ILE . 85.6 m -74.79 -24.21 58.62 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -175.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -52.28 -37.32 55.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.113 0.482 . . . . 0.0 111.094 177.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -70.48 -31.68 68.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.213 177.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.1 t -99.48 5.82 46.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.269 -173.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 92.5 mt -117.29 154.48 31.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.875 0.369 . . . . 0.0 110.929 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 25.1 p -96.36 170.49 9.2 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 172.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -56.08 -41.23 74.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.834 0.35 . . . . 0.0 110.828 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.9 m -54.83 -49.15 71.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.393 178.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.8 -39.1 90.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.628 0.728 . . . . 0.0 110.112 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.431 ' O ' HG23 ' A' ' 45' ' ' VAL . 37.6 mt-30 -62.29 -39.59 93.47 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.577 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -62.47 -41.08 98.53 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.467 0.651 . . . . 0.0 110.734 177.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -64.55 -42.99 95.34 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.637 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -65.25 -45.98 82.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.295 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 41' ' ' GLN . 73.0 t -61.3 -36.95 76.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 110.865 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.52 -39.7 84.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.221 175.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.741 HD13 ' HE1' ' A' ' 73' ' ' MET . 10.6 mt -63.75 -35.58 81.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.873 178.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 98.5 mt -56.7 -35.81 68.92 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -177.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -86.54 -12.42 48.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.986 0.422 . . . . 0.0 111.435 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.0 m -87.79 -170.31 2.95 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.871 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.516 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 11.6 m-20 -91.25 169.79 10.53 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.247 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.559 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 15.2 p-10 -125.81 50.72 4.83 Favored Pre-proline 0 CA--C 1.539 0.546 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -174.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.559 ' HD3' ' N ' ' A' ' 52' ' ' ASP . 0.9 OUTLIER -84.68 -55.91 0.03 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.735 0 C-N-CA 121.673 1.582 . . . . 0.0 111.812 -179.026 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.496 ' O ' ' HD1' ' A' ' 58' ' ' TRP . 12.6 p-10 -70.5 -33.24 70.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.024 176.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.431 HD11 HD12 ' A' ' 47' ' ' LEU . 6.3 tt -58.89 -49.37 78.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.762 177.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -58.33 -39.91 80.71 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.511 178.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.28 -37.36 83.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.903 -176.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.496 ' HD1' ' O ' ' A' ' 54' ' ' ASP . 22.7 m95 -67.06 -41.56 86.23 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 120.726 0.298 . . . . 0.0 111.266 -179.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.505 ' HA ' HG23 ' A' ' 78' ' ' VAL . 48.6 t -65.67 -32.31 57.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.588 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 25.7 ttt -82.19 -21.62 36.36 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.191 -179.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.44 22.29 10.6 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.9 -0.667 . . . . 0.0 113.674 174.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 26.1 m80 -143.07 43.28 1.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 122.372 -0.487 . . . . 0.0 110.401 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.531 ' C ' ' HD2' ' A' ' 64' ' ' ARG . . . -119.05 146.85 18.39 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.027 -1.082 . . . . 0.0 113.782 -172.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.531 ' HD2' ' C ' ' A' ' 63' ' ' GLY . 4.8 mpt_? -126.52 144.02 51.01 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 170.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 15.3 t -129.41 160.82 31.92 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.218 -171.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -60.23 -49.75 76.36 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.896 177.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -127.05 133.9 50.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.398 -175.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 24.7 mt -75.84 -18.31 59.51 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -177.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.03 -41.29 97.91 Favored Glycine 0 N--CA 1.453 -0.195 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 173.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.462 HD22 HD11 ' A' ' 47' ' ' LEU . 16.8 mt -58.12 -49.35 77.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.446 0.641 . . . . 0.0 110.069 172.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.07 -26.49 68.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.743 -177.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.15 -51.99 66.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.728 0.299 . . . . 0.0 111.575 -178.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.741 ' HE1' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -73.62 -28.81 62.0 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.151 -178.744 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.469 ' O ' HG22 ' A' ' 78' ' ' VAL . 88.7 t -68.71 -37.42 77.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.104 0.478 . . . . 0.0 110.197 174.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -60.04 -37.88 81.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.979 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -65.06 -34.85 79.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.409 177.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.628 HG12 ' HG ' ' A' ' 32' ' ' CYS . 68.7 mt -67.98 -46.34 82.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.054 175.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.505 HG23 ' HA ' ' A' ' 59' ' ' VAL . 57.5 t -58.61 -46.52 90.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.83 179.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.93 -40.52 84.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.056 0.455 . . . . 0.0 111.257 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -67.91 -38.2 82.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.796 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.503 ' O ' HG23 ' A' ' 85' ' ' VAL . 64.2 t30 -69.86 -44.06 70.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.749 179.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.5 mt -56.75 -34.78 67.89 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 120.909 0.385 . . . . 0.0 111.284 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.614 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 23.7 m -66.65 -48.42 69.45 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.965 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.585 ' HD3' ' HZ ' ' A' ' 28' ' ' PHE . 12.2 ptmm? -69.16 -23.34 63.93 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.855 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 81' ' ' ASN . 72.5 t -75.99 -42.74 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.849 0.357 . . . . 0.0 110.271 176.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' A' ' 83' ' ' SER . 7.0 ptm180 -71.24 -20.92 62.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 -177.242 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' ' 83' ' ' SER . 76.3 mt -61.5 -44.08 97.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.958 176.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 69.42 -37.99 0.39 Allowed 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.402 ' H ' ' C ' ' A' ' 87' ' ' LEU . 21.3 t60 -66.06 86.97 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.941 0.401 . . . . 0.0 110.799 -178.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -179.29 172.82 1.17 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.472 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -128.64 120.55 26.79 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.912 0.387 . . . . 0.0 110.479 175.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -63.63 135.48 56.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.964 -178.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -97.47 -12.21 22.92 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 175.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.243 0.713 0 CA-C-N 114.519 -1.218 . . . . 0.0 108.475 172.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -143.27 143.27 31.65 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.908 0.385 . . . . 0.0 111.461 -174.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.8 p -101.72 -176.49 3.15 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.648 174.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.23 -30.09 69.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.04 0.447 . . . . 0.0 110.447 176.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -64.06 -47.54 79.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.549 178.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -69.66 -35.78 75.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.566 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -61.02 -33.31 73.07 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.363 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.54 -41.79 86.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.911 0.386 . . . . 0.0 110.33 176.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -67.12 -36.43 81.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.079 0.466 . . . . 0.0 110.22 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.9 mt -64.34 -43.78 97.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.431 177.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.426 ' HZ3' ' CG ' ' A' ' 22' ' ' ASP . 55.4 tptt -57.93 -38.37 75.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.953 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -72.08 -27.45 62.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.009 177.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.402 ' O ' ' HD3' ' A' ' 16' ' ' ARG . . . -77.41 -10.48 59.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.41 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.477 ' HB3' ' HB2' ' A' ' 22' ' ' ASP . 80.6 m -70.19 -28.19 65.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.144 0.497 . . . . 0.0 110.605 175.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 -84.3 83.67 7.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.613 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.402 ' HD3' ' O ' ' A' ' 13' ' ' ALA . 1.4 mpt_? -113.12 -80.82 0.59 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.929 174.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -129.57 -11.59 2.67 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.286 -0.959 . . . . 0.0 112.622 175.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.528 ' HE2' ' HB2' ' A' ' 20' ' ' GLU . 11.8 tpt -138.98 99.17 3.7 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.768 -0.254 . . . . 0.0 111.142 -175.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 72.7 mt -63.92 -29.53 70.69 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.002 0.43 . . . . 0.0 111.213 179.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.528 ' HB2' ' HE2' ' A' ' 18' ' ' MET . 30.3 mt-10 -63.05 -19.26 64.22 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.489 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.499 ' O ' HG12 ' A' ' 25' ' ' ILE . 78.2 mt -72.85 -29.57 63.32 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-N 116.748 -0.205 . . . . 0.0 111.185 177.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.477 ' HB2' ' HB3' ' A' ' 14' ' ' CYS . 4.2 t70 -50.77 -38.72 49.62 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.088 0.471 . . . . 0.0 111.592 -177.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 38.5 t -71.02 -34.85 56.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.748 -177.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.416 ' HA ' ' CE1' ' A' ' 28' ' ' PHE . 35.2 m -102.51 2.37 10.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -173.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.499 HG12 ' O ' ' A' ' 21' ' ' LEU . 44.1 mm -105.28 -59.03 3.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.521 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.604 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 12.2 tmm? -61.32 -54.19 55.41 Favored Pre-proline 0 CA--C 1.54 0.573 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -171.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.604 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 22.5 Cg_exo -65.62 -33.15 46.31 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 121.793 1.662 . . . . 0.0 112.112 -177.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.416 ' CE1' ' HA ' ' A' ' 24' ' ' VAL . 1.5 m-85 -69.15 -36.09 77.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.081 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.551 ' HZ ' ' NE2' ' A' ' 41' ' ' GLN . 27.9 t80 -64.49 -37.32 87.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.963 177.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -58.47 -36.7 74.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.495 0.664 . . . . 0.0 110.462 178.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -76.02 -51.36 12.48 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.034 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.424 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 62.2 m -63.82 -30.99 72.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.779 0.323 . . . . 0.0 111.62 -177.124 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -54.6 -34.24 61.7 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 123.174 0.589 . . . . 0.0 111.439 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -55.93 -39.74 72.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.96 0.41 . . . . 0.0 111.007 177.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.1 m -95.5 -1.1 51.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.048 0.451 . . . . 0.0 111.233 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 96.5 mt -99.02 143.26 29.5 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.101 0.477 . . . . 0.0 110.763 176.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.3 p -86.89 169.81 12.19 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.181 175.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -55.57 -38.47 69.39 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.875 0.369 . . . . 0.0 111.261 177.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.5 m -58.33 -47.2 84.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.781 177.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.615 ' HB3' ' HE3' ' A' ' 73' ' ' MET . 37.8 mt-10 -70.9 -34.29 71.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.395 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.551 ' NE2' ' HZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -57.96 -41.29 82.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.268 175.143 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -65.51 -45.29 84.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.708 177.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -58.71 -41.02 85.33 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.509 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.565 ' HD2' ' HB3' ' A' ' 73' ' ' MET . 31.4 t80 -67.73 -44.9 76.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.945 -178.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.446 HG21 ' O ' ' A' ' 41' ' ' GLN . 97.6 t -60.81 -42.86 93.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.773 0.32 . . . . 0.0 110.45 178.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.96 -36.09 69.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.203 177.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.23 -45.01 93.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.991 178.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.6 mt -70.14 -25.78 63.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.225 -178.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -74.09 -14.18 60.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.046 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.4 t -96.03 -168.26 1.72 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 176.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.569 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 8.7 t70 -93.25 -178.59 4.81 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 179.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.536 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 23.9 p30 -122.43 50.29 2.6 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -176.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.569 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 1.1 Cg_endo -83.89 -56.72 0.03 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 121.76 1.64 . . . . 0.0 111.71 -179.133 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.47 ' O ' ' HD1' ' A' ' 58' ' ' TRP . 37.3 t70 -69.96 -36.42 75.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.177 177.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.0 tt -58.68 -45.37 89.58 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.072 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -57.83 -33.95 69.18 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 121.13 0.491 . . . . 0.0 110.327 177.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.78 -29.04 61.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.783 -178.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.579 ' HZ2' ' H ' ' A' ' 65' ' ' CYS . 31.8 m95 -70.0 -35.27 74.25 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.698 177.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 51.2 t -68.34 -29.63 44.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.407 178.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 67.5 mtm -85.85 -14.64 44.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.497 175.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.36 44.4 5.9 Favored Glycine 0 N--CA 1.45 -0.369 0 CA-C-N 115.904 -0.589 . . . . 0.0 113.195 175.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -158.91 32.49 0.21 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.997 0.398 . . . . 0.0 110.625 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.415 ' HA3' ' CD1' ' A' ' 58' ' ' TRP . . . -98.8 173.2 26.62 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.202 -179.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -155.02 93.9 1.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.304 0.573 . . . . 0.0 110.96 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.579 ' H ' ' HZ2' ' A' ' 58' ' ' TRP . 86.5 m -75.44 163.2 27.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.836 179.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -59.17 -46.21 89.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.123 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -134.92 154.94 51.49 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.183 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.3 mt -75.15 -17.23 60.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.37 -176.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.69 -46.97 88.51 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.013 174.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 89.2 mt -71.27 -31.69 67.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.065 0.459 . . . . 0.0 110.507 176.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.91 -30.93 69.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.221 -178.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.48 ' O ' ' HG3' ' A' ' 76' ' ' LYS . . . -61.15 -30.35 70.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.968 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.615 ' HE3' ' HB3' ' A' ' 40' ' ' GLU . 17.6 mmt -65.4 -47.29 76.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.743 178.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.401 ' O ' HG23 ' A' ' 78' ' ' VAL . 38.9 t -66.22 -37.94 80.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.133 177.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -54.39 -47.23 72.94 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.251 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 72' ' ' ALA . 88.3 mttt -67.34 -34.41 77.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.146 -178.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 82.6 mt -66.78 -48.42 79.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.083 175.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 74' ' ' VAL . 96.9 t -62.39 -36.8 76.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.935 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.61 -41.86 86.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.044 0.449 . . . . 0.0 110.889 177.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -71.73 -44.72 63.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.569 177.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.444 ' O ' HG21 ' A' ' 85' ' ' VAL . 57.9 t30 -64.54 -36.66 84.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.22 -177.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.1 tp -54.66 -38.79 67.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.131 0.491 . . . . 0.0 111.028 -178.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.586 ' HA ' ' HG2' ' A' ' 86' ' ' ARG . 10.5 t -67.9 -36.99 81.18 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.478 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -70.5 -31.29 68.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.111 0.482 . . . . 0.0 110.37 175.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.444 HG21 ' O ' ' A' ' 81' ' ' ASN . 75.4 t -68.79 -36.2 73.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.725 178.015 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.586 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 15.9 ptm180 -81.25 -30.2 34.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.365 177.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.2 tt -59.06 -52.82 64.12 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 174.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.497 ' HB3' ' CD2' ' A' ' 90' ' ' HIS . 34.5 mt-10 -104.41 76.04 1.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.023 173.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -80.53 77.27 7.35 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.56 0.695 . . . . 0.0 109.976 -178.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.497 ' CD2' ' HB3' ' A' ' 88' ' ' GLU . 20.2 p80 -141.08 -178.42 5.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.107 176.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -59.59 128.53 37.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.045 0.45 . . . . 0.0 111.38 -177.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.412 ' CE1' HG11 ' A' ' 85' ' ' VAL . 51.8 m80 -109.82 -26.45 9.8 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.535 177.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -82.28 119.46 24.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.197 173.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 . . . . . 0 C--O 1.244 0.794 0 CA-C-O 118.397 -0.811 . . . . 0.0 110.03 -178.667 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.6 ttm . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.462 0.172 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -62.44 118.72 7.9 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 178.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.513 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 30.2 p -71.72 167.27 20.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.182 0.515 . . . . 0.0 112.118 -173.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.23 96.33 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.321 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -62.38 -40.01 95.05 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.242 0.544 . . . . 0.0 109.661 178.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -69.62 -31.56 69.75 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.857 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' A' ' 3' ' ' THR . 60.2 mttp -61.97 -34.07 75.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.728 0.299 . . . . 0.0 110.968 176.395 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.27 -36.22 82.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.099 0.476 . . . . 0.0 110.545 177.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -67.31 -31.8 72.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.555 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 72.6 mt -64.76 -43.67 96.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.008 174.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.52 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 99.6 mttt -57.4 -41.64 80.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.586 176.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.7 m95 -63.85 -27.16 68.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.315 178.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.482 ' HB2' ' HB3' ' A' ' 48' ' ' LEU . . . -73.92 -36.85 64.73 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.868 0.366 . . . . 0.0 110.579 177.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 81.9 m -65.1 -25.79 67.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.289 0.566 . . . . 0.0 110.437 176.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.52 ' HG2' ' O ' ' A' ' 11' ' ' LYS . 15.3 mmt180 -75.83 -1.51 25.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.879 178.128 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.427 ' NE ' ' HA ' ' A' ' 16' ' ' ARG . 2.2 mmp_? -98.32 101.44 12.9 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 122.083 -0.386 . . . . 0.0 111.443 -174.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.14 -48.23 2.4 Favored Glycine 0 CA--C 1.52 0.349 0 CA-C-N 115.916 -0.584 . . . . 0.0 114.148 172.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.588 ' HB2' ' HB2' ' A' ' 21' ' ' LEU . 21.0 ptp -79.96 50.26 1.18 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.071 0.462 . . . . 0.0 111.465 -175.329 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.1 mt -53.84 -41.41 67.4 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -175.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -77.8 -20.81 52.61 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.357 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.588 ' HB2' ' HB2' ' A' ' 18' ' ' MET . 95.3 mt -86.25 -25.18 25.69 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.647 0.261 . . . . 0.0 110.348 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -52.58 -45.75 66.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.074 177.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.0 t -69.47 -28.4 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.234 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.525 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 60.9 t -85.99 -46.29 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.32 -176.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 80.5 mt -69.71 -33.86 58.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.671 -176.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.719 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 44.1 ttm -51.5 -53.97 44.16 Favored Pre-proline 0 CA--C 1.543 0.69 0 N-CA-C 113.067 0.765 . . . . 0.0 113.067 -175.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.719 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 12.7 Cg_exo -72.14 -29.68 14.22 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 121.935 1.757 . . . . 0.0 112.801 178.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.0 m-30 -68.24 -43.37 78.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.994 0.426 . . . . 0.0 110.08 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -56.57 -40.62 75.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.956 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -60.86 -41.95 96.92 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.914 0.388 . . . . 0.0 111.706 -176.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.403 ' HG3' ' HG ' ' A' ' 32' ' ' CYS . 9.8 pt-20 -85.62 -35.82 20.74 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.359 -0.382 . . . . 0.0 112.0 -178.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 73.7 m -80.58 -22.27 40.86 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -176.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.533 ' HA ' HD13 ' A' ' 36' ' ' LEU . 84.7 t80 -55.38 -35.09 64.91 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 -178.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -57.15 -36.58 70.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.028 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.3 m -96.73 -5.35 38.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.966 0.412 . . . . 0.0 110.987 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.533 HD13 ' HA ' ' A' ' 33' ' ' PHE . 71.6 mt -77.16 104.09 7.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.221 176.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.562 ' OG1' ' HG2' ' A' ' 40' ' ' GLU . 72.4 p -70.64 172.7 8.19 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 174.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -57.46 -38.06 73.88 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.248 0.547 . . . . 0.0 109.777 177.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.6 m -64.38 -48.72 74.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.605 177.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.562 ' HG2' ' OG1' ' A' ' 37' ' ' THR . 6.2 mm-40 -58.48 -42.98 88.76 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.626 0.727 . . . . 0.0 109.328 177.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.458 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -63.09 -39.69 95.45 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.298 178.309 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -64.2 -46.22 84.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.848 0.356 . . . . 0.0 110.904 -176.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.489 ' HB3' HD22 ' A' ' 70' ' ' LEU . 0.8 OUTLIER -60.04 -41.36 92.11 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.701 178.242 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.543 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 18.9 t80 -67.03 -45.06 78.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.798 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 41' ' ' GLN . 79.4 t -64.39 -40.55 89.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 120.567 0.222 . . . . 0.0 111.201 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.75 -39.44 84.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.356 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.508 ' HB3' ' OD2' ' A' ' 52' ' ' ASP . 9.6 mt -67.86 -49.84 59.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.05 177.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 44' ' ' PHE . 92.7 mt -56.42 -18.65 11.85 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.66 1.355 . . . . 0.0 114.66 -169.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -62.04 -49.78 74.65 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.43 -0.508 . . . . 0.0 111.824 -175.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.3 m -159.9 116.53 2.52 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.795 0.331 . . . . 0.0 111.399 176.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.7 t70 67.42 123.67 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 114.701 -1.136 . . . . 0.0 112.854 173.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.508 ' OD2' ' HB3' ' A' ' 47' ' ' LEU . 3.0 m-20 -118.01 78.13 12.84 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.885 -178.143 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -74.25 -44.25 0.45 Allowed 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.228 1.952 . . . . 0.0 112.025 -178.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.21 -44.67 92.27 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.263 0.554 . . . . 0.0 109.905 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.567 ' HG ' ' HE2' ' A' ' 73' ' ' MET . 0.6 OUTLIER -60.72 -49.91 75.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.139 179.774 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -60.28 -39.64 87.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.329 -177.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.98 -43.71 64.7 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -176.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 27.0 m95 -70.54 -29.59 66.1 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.53 -176.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 55' ' ' LEU . 78.1 t -69.45 -41.33 80.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 C-N-CA 121.228 -0.189 . . . . 0.0 111.103 178.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 18.3 ptp -77.51 -22.35 51.31 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.834 -178.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.5 30.7 6.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.426 178.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -131.52 42.49 3.18 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 178.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' ' 64' ' ' ARG . . . -84.37 -118.43 0.77 Allowed Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 114.969 -1.014 . . . . 0.0 114.321 -169.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 63' ' ' GLY . 55.4 mtt180 70.1 132.87 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.76 0.824 . . . . 0.0 109.755 -164.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 52.1 t -155.11 164.51 38.75 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.249 -173.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -77.38 -34.05 55.02 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.556 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.532 ' ND2' ' HG ' ' A' ' 70' ' ' LEU . 19.2 t30 -113.36 112.21 23.28 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.208 -177.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 24.6 mt -75.18 -14.2 60.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.606 -178.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -59.93 -38.85 94.75 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.279 174.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.532 ' HG ' ' ND2' ' A' ' 67' ' ' ASN . 96.1 mt -61.45 -43.38 98.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.239 0.542 . . . . 0.0 110.216 175.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.2 -31.26 69.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.529 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.87 -45.83 85.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.513 -177.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.754 ' HA ' ' HE2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -74.19 -28.51 61.31 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.103 179.837 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 70' ' ' LEU . 90.9 t -69.03 -39.92 80.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.646 0.26 . . . . 0.0 111.06 178.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -59.4 -34.69 72.76 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.982 0.42 . . . . 0.0 110.866 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.754 ' HE2' ' HA ' ' A' ' 73' ' ' MET . 40.5 mttm -62.44 -38.08 88.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.08 177.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 75.5 mt -68.63 -38.79 79.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.073 177.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.519 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 76.1 t -60.08 -42.55 90.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.532 178.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.79 -41.09 77.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.052 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -72.16 -39.87 68.4 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.966 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.519 ' ND2' ' HA ' ' A' ' 78' ' ' VAL . 8.0 p30 -67.32 -33.44 75.27 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.163 -178.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.3 tp -56.77 -38.32 72.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.35 0.595 . . . . 0.0 109.814 173.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.428 ' HA ' ' HG2' ' A' ' 86' ' ' ARG . 33.6 m -70.19 -31.15 68.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.708 177.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -66.51 -35.68 80.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.171 175.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.505 HG21 ' O ' ' A' ' 81' ' ' ASN . 59.3 t -69.24 -37.21 75.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.84 -179.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.428 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 30.0 ptt180 -79.11 -16.7 56.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.248 0.547 . . . . 0.0 110.789 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 52.5 tp -90.36 -48.19 7.28 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.637 175.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 85' ' ' VAL . 14.5 mt-10 51.86 -99.88 0.08 Allowed 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 123.744 0.818 . . . . 0.0 112.63 -177.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -145.68 44.89 1.29 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.391 -172.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 54.6 m80 -63.07 -34.27 77.23 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 171.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 32.4 p80 -126.83 140.22 52.52 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 169.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -137.51 123.23 19.91 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -173.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -172.0 157.47 4.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.027 171.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.9 p80 . . . . . 0 C--O 1.246 0.875 0 CA-C-O 118.575 -0.726 . . . . 0.0 110.275 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 tpt . . . . . 0 N--CA 1.482 1.165 0 CA-C-O 120.431 0.158 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.621 ' HA ' ' OE1' ' A' ' 6' ' ' GLN . 85.0 m-85 62.48 103.94 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.154 0.502 . . . . 0.0 111.144 -175.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.504 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 75.5 p -70.06 168.46 15.46 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.6 -177.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.47 -32.74 74.27 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.899 175.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -71.08 -40.38 71.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.345 176.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.621 ' OE1' ' HA ' ' A' ' 2' ' ' TYR . 58.8 tt0 -68.83 -29.7 68.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.927 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.504 ' HG2' ' O ' ' A' ' 3' ' ' THR . 38.1 mmtm -54.6 -31.99 57.96 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.504 176.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.31 -48.76 78.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.979 -174.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -62.39 -31.18 71.81 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.947 0.403 . . . . 0.0 111.096 -177.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.3 mt -69.9 -51.84 36.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.27 177.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -67.49 -39.09 85.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.74 -174.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 13.6 m95 -66.23 -23.25 66.39 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.716 0.294 . . . . 0.0 111.165 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.43 ' O ' ' HB3' ' A' ' 48' ' ' LEU . . . -112.03 25.08 11.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.909 0.385 . . . . 0.0 111.098 -175.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.6 t -64.17 -26.16 68.4 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.743 -178.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.8 mtp180 72.9 166.5 0.3 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.462 0.705 . . . . 0.0 111.482 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -147.43 17.42 1.17 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.39 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.88 -44.26 71.3 Favored Glycine 0 CA--C 1.522 0.521 0 CA-C-N 115.407 -0.815 . . . . 0.0 115.077 -171.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 15.7 tpt -149.22 128.22 12.69 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 117.699 0.75 . . . . 0.0 111.026 -171.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.439 ' O ' HG21 ' A' ' 23' ' ' VAL . 89.2 mt -56.34 -45.42 80.41 Favored 'General case' 0 C--N 1.332 -0.174 0 O-C-N 123.148 0.28 . . . . 0.0 111.719 -178.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -57.16 -30.4 64.44 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.708 0.29 . . . . 0.0 111.443 178.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.627 HD11 HG21 ' A' ' 59' ' ' VAL . 4.0 mm? -79.71 -55.53 4.94 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 176.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.32 -45.38 65.56 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.668 -176.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.512 HG23 HG11 ' A' ' 24' ' ' VAL . 34.0 m -70.57 -21.29 22.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -173.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.53 HG22 ' HB2' ' A' ' 81' ' ' ASN . 32.5 m -107.58 3.67 9.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.456 -0.498 . . . . 0.0 111.826 -177.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 21' ' ' LEU . 70.7 mt -103.84 -53.08 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 179.128 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.497 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 1.3 tmt? -56.64 -54.69 51.07 Favored Pre-proline 0 CA--C 1.54 0.588 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -171.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.497 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 58.7 Cg_endo -74.11 -25.87 13.39 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 121.492 1.462 . . . . 0.0 111.989 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.57 ' HZ ' ' HB3' ' A' ' 76' ' ' LYS . 78.6 t80 -69.32 -36.19 76.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.549 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -58.37 -38.87 78.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.879 0.371 . . . . 0.0 110.003 176.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -65.3 -41.63 93.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.502 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -70.6 -52.02 24.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.463 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.5 t -74.86 -20.8 59.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.199 -170.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -55.58 -36.04 66.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.96 0.409 . . . . 0.0 110.753 176.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -62.52 -32.32 73.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.254 177.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.1 t -92.68 -35.42 13.5 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.106 -176.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 78.7 mt -83.92 171.16 13.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.628 0.728 . . . . 0.0 111.868 -174.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.1 p -119.06 168.43 10.84 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.803 174.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -60.83 -33.79 73.57 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -177.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.4 m -54.9 -44.42 74.14 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.035 0.445 . . . . 0.0 110.887 175.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -71.71 -41.83 68.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.385 0.612 . . . . 0.0 110.31 177.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.516 ' O ' HG23 ' A' ' 45' ' ' VAL . 48.1 mt-30 -62.7 -37.87 88.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.399 -178.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -56.89 -45.79 82.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.192 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -62.48 -40.17 95.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.028 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.4 ' HA ' ' HE3' ' A' ' 73' ' ' MET . 82.2 t80 -65.47 -44.37 87.4 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.113 176.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 41' ' ' GLN . 93.0 t -63.32 -45.62 97.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.1 -179.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.36 -34.29 73.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.969 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.49 HD23 ' HE1' ' A' ' 73' ' ' MET . 33.7 tp -62.91 -40.86 98.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.632 177.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.43 ' HB3' ' O ' ' A' ' 13' ' ' ALA . 89.6 mt -59.54 -33.02 70.87 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.295 0.479 . . . . 0.0 112.295 -173.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -78.07 -14.52 59.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.233 0.539 . . . . 0.0 110.592 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.4 t -97.68 -154.72 0.46 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.427 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 1.4 t0 -123.14 171.79 9.05 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 177.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.499 ' O ' ' HB2' ' A' ' 56' ' ' PHE . 8.0 m-20 -124.5 66.62 45.94 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.979 -173.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.427 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 4.8 Cg_exo -76.38 -56.46 0.05 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.906 1.738 . . . . 0.0 111.832 -177.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.499 ' O ' ' HD1' ' A' ' 58' ' ' TRP . 5.7 p-10 -70.47 -41.09 73.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.777 178.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.515 HD23 HG21 ' A' ' 74' ' ' VAL . 91.1 mt -65.58 -36.96 85.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.874 -176.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.499 ' HB2' ' O ' ' A' ' 52' ' ' ASP . 32.8 t80 -56.58 -36.99 69.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.252 0.549 . . . . 0.0 110.044 173.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 62' ' ' HIS . . . -71.35 -31.2 67.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.172 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.499 ' HD1' ' O ' ' A' ' 54' ' ' ASP . 22.7 m95 -63.31 -45.29 92.04 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.822 0.344 . . . . 0.0 110.531 176.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.627 HG21 HD11 ' A' ' 21' ' ' LEU . 40.2 t -63.21 -37.68 80.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.295 0.569 . . . . 0.0 110.342 178.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.2 mmt -79.14 -7.67 58.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.215 179.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.6 26.28 43.24 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.314 -0.47 . . . . 0.0 113.821 171.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.539 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 2.3 m-70 -154.66 83.16 1.1 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 117.191 0.495 . . . . 0.0 111.528 179.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 174.14 151.71 8.5 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 119.622 -1.275 . . . . 0.0 113.349 176.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 45.6 mtm180 -103.44 175.06 5.6 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 174.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 21.0 t -125.99 156.02 40.5 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.583 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -68.46 -43.76 76.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.059 0.457 . . . . 0.0 110.084 177.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -140.2 128.91 23.09 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.134 178.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 58.6 mt -73.81 -11.25 60.32 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -169.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.86 -47.69 84.37 Favored Glycine 0 C--N 1.324 -0.127 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.836 176.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.419 ' O ' HG22 ' A' ' 74' ' ' VAL . 74.0 mt -63.88 -47.21 81.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.071 0.463 . . . . 0.0 110.154 175.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.62 -28.41 68.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.074 -177.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.19 -50.84 70.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.691 0.282 . . . . 0.0 111.393 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.49 ' HE1' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -73.85 -28.05 61.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.747 0.308 . . . . 0.0 110.725 179.373 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.515 HG21 HD23 ' A' ' 55' ' ' LEU . 73.7 t -65.92 -36.64 78.0 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.353 174.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -54.84 -41.99 71.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.596 177.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.571 ' HE2' ' HA ' ' A' ' 76' ' ' LYS . 8.2 mmpt? -58.97 -40.01 83.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.693 177.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.8 mt -69.97 -46.96 71.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.525 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.513 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 93.1 t -60.53 -43.87 95.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.832 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.98 -35.45 75.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.908 0.385 . . . . 0.0 110.806 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -71.27 -36.47 71.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.034 0.445 . . . . 0.0 109.875 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.53 ' HB2' HG22 ' A' ' 24' ' ' VAL . 21.1 t-20 -67.85 -39.39 83.81 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.807 177.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 89.4 mt -55.84 -33.12 64.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.474 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.458 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 32.0 m -66.01 -47.26 75.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.576 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.44 ' HE2' ' HB2' ' A' ' 84' ' ' LYS . 6.2 ptmm? -69.98 -26.03 63.89 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.263 178.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 53.2 t -73.44 -46.13 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.74 177.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' A' ' 83' ' ' SER . 36.4 ptt180 -69.69 -19.36 63.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.633 -179.101 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.427 ' HG ' ' HB2' ' A' ' 89' ' ' HIS . 62.6 tp -74.35 -23.41 59.02 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.515 177.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 58.96 29.06 18.46 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.353 178.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.427 ' HB2' ' HG ' ' A' ' 87' ' ' LEU . 6.9 t-80 -83.24 62.96 6.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.664 0.268 . . . . 0.0 111.391 -173.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 71.23 -49.83 0.68 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.002 0.921 . . . . 0.0 113.073 174.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.21 118.45 19.74 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -178.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 77.29 122.85 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.608 0 O-C-N 124.528 1.143 . . . . 0.0 110.113 -172.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -131.0 138.35 49.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.847 -175.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 57.6 t60 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.581 -0.723 . . . . 0.0 109.149 173.11 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.478 0.97 0 CA-C-O 120.905 0.383 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -133.4 99.96 4.68 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 176.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.524 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 24.5 p -85.74 -178.64 6.67 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.177 -176.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.04 -39.72 72.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.699 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -60.9 -44.5 97.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.974 0.416 . . . . 0.0 110.641 178.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -69.64 -32.01 70.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 3' ' ' THR . 34.5 mmtp -56.54 -41.36 76.67 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.023 0.439 . . . . 0.0 110.366 177.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.03 -45.07 74.96 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.439 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -61.96 -41.36 97.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.934 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 87.6 mt -64.23 -45.6 95.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.584 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.61 ' HA ' ' SG ' ' A' ' 14' ' ' CYS . 54.6 mtmt -66.3 -35.38 80.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.294 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.6 m0 -60.39 -33.88 73.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.661 174.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.412 ' O ' ' HB3' ' A' ' 48' ' ' LEU . . . -92.38 -2.29 56.45 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.327 -0.397 . . . . 0.0 112.064 -177.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.61 ' SG ' ' HA ' ' A' ' 11' ' ' LYS . 84.4 m -70.83 -24.89 62.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.408 0.623 . . . . 0.0 110.366 177.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 15' ' ' ARG . 56.0 mtt180 -91.83 -164.63 1.21 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.906 179.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 75.5 142.38 0.07 Allowed 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.612 0.57 . . . . 0.0 110.096 -178.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.68 -63.22 4.49 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.974 177.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.599 ' SD ' ' HG ' ' A' ' 21' ' ' LEU . 18.2 ttt -131.83 127.39 36.5 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.136 0.493 . . . . 0.0 111.638 -174.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.6 mt -75.65 -37.89 59.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.345 -176.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.467 ' HB2' ' HE3' ' A' ' 18' ' ' MET . 6.8 mp0 -64.92 -27.92 69.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 0.0 110.722 179.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.599 ' HG ' ' SD ' ' A' ' 18' ' ' MET . 20.8 mt -68.64 -39.15 80.86 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.75 179.151 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.84 -45.48 59.73 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.241 -0.436 . . . . 0.0 112.015 179.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.431 HG21 ' HB2' ' A' ' 94' ' ' HIS . 28.3 m -83.72 -10.6 11.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -173.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.7 m -110.53 -33.76 2.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -177.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 68.5 mt -63.77 -41.93 94.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -176.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.648 ' HB2' ' HD3' ' A' ' 27' ' ' PRO . 72.5 mtm -61.78 -53.94 55.92 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-O 119.388 -0.339 . . . . 0.0 111.657 -178.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.648 ' HD3' ' HB2' ' A' ' 26' ' ' MET . 46.0 Cg_exo -58.72 -41.47 63.12 Favored 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 122.151 1.901 . . . . 0.0 112.627 176.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -64.82 -37.06 86.34 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.78 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -61.49 -43.82 98.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.368 177.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' ' 26' ' ' MET . 26.6 mt-10 -56.28 -41.09 75.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.294 0.569 . . . . 0.0 110.686 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -74.7 -51.39 14.42 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.798 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 58.0 m -77.23 -22.97 51.43 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -170.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -54.35 -39.12 66.81 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.777 0.322 . . . . 0.0 111.498 -178.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -69.73 -22.37 63.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.615 -178.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.9 m -99.58 -34.62 10.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.795 -175.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.9 mt -76.79 139.72 40.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.13 0.49 . . . . 0.0 111.843 -173.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.2 p -85.69 174.53 9.32 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.925 173.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -56.83 -46.99 81.32 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 111.476 0.176 . . . . 0.0 111.476 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.8 m -58.78 -45.24 90.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.742 0.306 . . . . 0.0 111.259 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.428 ' HB3' ' SD ' ' A' ' 73' ' ' MET . 44.8 mt-10 -65.34 -42.88 92.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.427 0.632 . . . . 0.0 110.151 177.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.434 ' O ' HG21 ' A' ' 45' ' ' VAL . 35.6 mt-30 -60.25 -40.3 89.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.333 177.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -61.2 -46.14 91.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.605 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.423 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 2.1 m-20 -67.49 -32.55 73.44 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.727 178.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -63.98 -45.7 87.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.26 177.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.434 HG21 ' O ' ' A' ' 41' ' ' GLN . 74.1 t -64.78 -41.05 91.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.167 177.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.43 -33.1 70.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.562 176.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 43' ' ' ASP . 72.2 mt -65.65 -38.17 88.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.034 177.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 14' ' ' CYS . 88.1 mt -66.44 -27.38 67.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.255 0.55 . . . . 0.0 110.978 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -76.17 -13.71 60.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.937 177.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.4 m -102.02 171.33 7.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.195 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.632 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 0.7 OUTLIER -79.5 -169.34 1.87 Allowed 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 176.061 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.567 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 5.6 p-10 -116.02 48.11 0.59 Allowed Pre-proline 0 CA--C 1.545 0.776 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -175.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.632 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 7.0 Cg_endo -89.51 -49.1 0.03 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 121.539 1.493 . . . . 0.0 111.326 177.14 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.473 ' H ' ' HD2' ' A' ' 53' ' ' PRO . 6.4 m-20 -66.45 -39.56 88.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.363 177.174 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.478 ' O ' HG21 ' A' ' 59' ' ' VAL . 95.9 mt -60.99 -50.39 73.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.516 179.229 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -58.85 -46.3 88.07 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.473 0.654 . . . . 0.0 110.786 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.97 -35.97 77.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.704 -172.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -75.98 -30.75 58.7 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.726 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.478 HG21 ' O ' ' A' ' 55' ' ' LEU . 69.9 t -66.12 -40.36 86.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.622 0.249 . . . . 0.0 110.58 176.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.8 ptm -78.82 -21.25 47.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.039 0.447 . . . . 0.0 110.306 177.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.05 35.04 10.09 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.984 176.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -128.18 -3.09 5.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.107 0.48 . . . . 0.0 110.639 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -94.78 160.71 23.44 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.291 -0.957 . . . . 0.0 112.616 -176.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -129.02 140.58 51.56 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 49.7 t -149.67 122.43 8.67 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 177.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -67.08 -33.29 75.18 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.033 -175.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -82.61 95.49 7.8 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 50.0 mt -72.11 -14.5 61.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.901 -178.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.82 -47.14 92.7 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 169.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 66.6 mt -62.47 -41.37 98.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.232 0.539 . . . . 0.0 110.326 174.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.07 -24.41 66.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.828 -178.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.482 ' O ' ' HG2' ' A' ' 76' ' ' LYS . . . -57.44 -50.34 73.34 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.249 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.428 ' SD ' ' HB3' ' A' ' 40' ' ' GLU . 2.9 mpp? -68.98 -30.1 68.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.737 0.303 . . . . 0.0 110.948 179.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.478 ' O ' HG22 ' A' ' 78' ' ' VAL . 58.2 t -65.37 -42.55 93.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 176.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -58.89 -38.49 78.97 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.867 178.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 25.7 mmmt -59.49 -40.86 88.38 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.824 177.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 73.4 mt -71.26 -46.38 65.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.691 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.647 ' HA ' ' OD1' ' A' ' 81' ' ' ASN . 89.6 t -55.53 -47.32 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.397 -178.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.35 -38.59 80.76 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.125 0.488 . . . . 0.0 110.843 179.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -71.73 -46.88 57.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.938 -177.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.647 ' OD1' ' HA ' ' A' ' 78' ' ' VAL . 1.2 p-10 -70.81 -39.63 72.97 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.272 -176.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.424 HD21 ' HA ' ' A' ' 82' ' ' LEU . 23.4 mt -61.78 -32.29 72.55 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.769 0.318 . . . . 0.0 111.025 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.4 t -64.22 -46.54 83.41 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.785 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 81' ' ' ASN . 14.4 ptmm? -70.04 -25.91 63.78 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.554 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 81' ' ' ASN . 70.2 t -70.24 -38.91 76.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.063 0.459 . . . . 0.0 110.072 178.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -34.65 72.95 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.256 174.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.572 ' HG ' ' H ' ' A' ' 89' ' ' HIS . 57.2 tp -66.78 -60.97 2.21 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.391 -178.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 61.0 10.4 2.8 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.572 ' H ' ' HG ' ' A' ' 87' ' ' LEU . 23.4 t60 -94.56 17.33 13.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.341 0.591 . . . . 0.0 110.774 -174.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -129.68 159.21 37.16 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.198 175.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -84.68 165.58 17.78 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.744 0.307 . . . . 0.0 110.662 -179.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -71.59 107.33 4.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.78 -178.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -67.64 -19.04 65.17 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.395 -175.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.431 ' HB2' HG21 ' A' ' 23' ' ' VAL . 4.3 t-80 . . . . . 0 C--O 1.24 0.604 0 CA-C-O 118.651 -0.69 . . . . 0.0 109.319 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.959 0.409 . . . . 0.0 110.763 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.593 ' CD1' ' HG2' ' A' ' 6' ' ' GLN . 23.2 m-85 -107.81 124.29 49.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.064 177.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.8 p -111.01 -165.74 1.02 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.823 -176.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.32 -31.18 70.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.595 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.24 -42.09 94.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.065 0.46 . . . . 0.0 110.069 176.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.593 ' HG2' ' CD1' ' A' ' 2' ' ' TYR . 2.5 mp0 -69.21 -38.03 78.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.156 177.238 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.402 ' HB3' ' HE2' ' A' ' 7' ' ' LYS . 43.4 mtpt -61.47 -34.37 75.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.889 176.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.441 ' O ' ' HD1' ' A' ' 12' ' ' TRP . . . -62.63 -41.73 99.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.746 0.308 . . . . 0.0 110.932 178.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -62.45 -36.09 81.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.146 0.498 . . . . 0.0 109.719 178.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.2 mt -70.81 -42.61 77.45 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.449 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.216 176.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.6 tptt -52.58 -38.32 59.77 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.589 0.756 . . . . 0.0 112.084 -177.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.441 ' HD1' ' O ' ' A' ' 8' ' ' ALA . 38.8 m95 -72.1 -28.43 63.29 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.63 3.31 12.37 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -172.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 23.3 p -70.02 -26.8 64.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.809 0.338 . . . . 0.0 111.215 -175.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.5 ptt-85 -87.99 -3.17 58.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.396 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 56.62 -86.02 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 O-C-N 123.999 0.812 . . . . 0.0 110.966 -177.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.7 17.22 0.17 Allowed Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 175.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 44.7 tpp -136.98 118.01 14.32 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -174.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.7 mp -66.97 -23.26 65.93 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.082 -176.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -66.4 -24.21 66.43 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.826 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.1 mt -99.03 -18.13 17.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.817 -174.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -55.67 -44.42 77.24 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.069 0.461 . . . . 0.0 111.04 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.9 m -76.59 -14.93 14.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.652 -0.703 . . . . 0.0 112.609 -174.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.2 p -101.97 -21.2 5.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.021 -178.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 73.1 mt -94.46 -60.91 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.595 -178.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.599 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 28.3 ttt -66.36 -53.26 32.04 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 113.315 0.858 . . . . 0.0 113.315 -169.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.599 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 52.4 Cg_exo -57.17 -42.31 64.64 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.904 1.736 . . . . 0.0 112.444 -178.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -69.07 -36.62 77.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.526 178.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -62.96 -43.62 98.3 Favored 'General case' 0 C--O 1.214 -0.813 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.569 176.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -63.61 -34.55 78.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.139 0.495 . . . . 0.0 111.117 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -66.5 -51.51 55.89 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.972 176.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.495 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 33.4 m -75.81 -23.76 55.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.545 -176.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -54.86 -36.68 65.34 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 123.665 0.786 . . . . 0.0 111.853 -177.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -66.39 -22.51 66.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.043 0.449 . . . . 0.0 110.893 -178.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.3 t -101.02 -34.62 9.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.028 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 96.8 mt -65.79 152.96 43.17 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.278 0.561 . . . . 0.0 112.053 -176.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.0 p -104.66 173.81 6.15 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.051 176.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -60.7 -37.22 80.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.593 0.235 . . . . 0.0 111.17 -178.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.9 m -57.58 -41.32 80.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.887 0.375 . . . . 0.0 110.729 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -69.96 -47.51 62.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.52 0.676 . . . . 0.0 110.01 177.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.483 ' O ' HG22 ' A' ' 45' ' ' VAL . 51.4 mt-30 -58.16 -43.88 87.63 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.615 -1.175 . . . . 0.0 111.951 -177.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -67.12 -40.8 86.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.057 0.456 . . . . 0.0 111.062 -174.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -66.43 -42.09 88.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.737 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -68.18 -42.46 79.91 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.419 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 41' ' ' GLN . 77.6 t -61.83 -40.34 86.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.803 0.335 . . . . 0.0 110.233 177.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.8 -35.51 70.93 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.833 176.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.555 HD11 HD22 ' A' ' 70' ' ' LEU . 6.0 tt -66.57 -45.58 78.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.137 177.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.26 -28.49 70.06 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.965 0.412 . . . . 0.0 111.836 -177.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 45' ' ' VAL . 41.6 mt-10 -74.26 -21.41 59.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.206 0.527 . . . . 0.0 110.234 177.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.2 m -99.91 174.44 6.19 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.367 178.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.552 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 3.5 m-20 -71.91 158.42 36.07 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 175.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.504 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 7.2 p-10 -119.02 52.58 1.8 Allowed Pre-proline 0 CA--C 1.54 0.558 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -171.188 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.552 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 3.3 Cg_exo -76.95 -35.18 1.93 Allowed 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.348 1.365 . . . . 0.0 110.447 175.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -66.3 -44.12 84.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.205 177.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.424 ' O ' HG23 ' A' ' 59' ' ' VAL . 7.9 tt -59.02 -49.82 76.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.031 -178.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -62.67 -41.36 99.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.61 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.46 ' HB3' ' HA3' ' A' ' 63' ' ' GLY . . . -66.37 -38.21 87.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.891 -176.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -70.9 -35.9 72.5 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.896 -0.321 . . . . 0.0 111.689 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 55' ' ' LEU . 87.2 t -65.19 -43.38 95.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.466 178.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 22.3 ttt -78.85 -15.09 58.82 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 121.016 0.436 . . . . 0.0 110.685 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.31 38.64 21.22 Favored Glycine 0 CA--C 1.518 0.233 0 C-N-CA 121.198 -0.525 . . . . 0.0 112.77 176.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 50.2 m170 -126.83 2.45 6.67 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.584 0.216 . . . . 0.0 111.584 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.46 ' HA3' ' HB3' ' A' ' 57' ' ' ALA . . . -126.73 158.65 20.82 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 119.809 -1.186 . . . . 0.0 113.865 -171.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.449 ' HD2' ' C ' ' A' ' 63' ' ' GLY . 6.3 mpt_? -131.13 143.14 50.42 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 174.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 25.5 p -111.61 157.27 20.61 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.496 -177.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -73.69 -37.69 65.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.156 0.503 . . . . 0.0 110.057 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -104.25 110.21 22.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.366 177.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 28.0 mt -74.7 -10.53 59.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.919 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.38 -38.61 94.99 Favored Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 171.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.555 HD22 HD11 ' A' ' 47' ' ' LEU . 69.4 mt -68.55 -32.9 73.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.278 0.561 . . . . 0.0 110.705 176.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.99 -24.49 64.23 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.662 178.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.18 -53.8 52.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.999 -177.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.466 ' SD ' ' HA ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -73.41 -28.51 62.04 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.945 -178.614 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.46 ' O ' HG23 ' A' ' 78' ' ' VAL . 78.8 t -65.66 -41.25 90.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.853 0.359 . . . . 0.0 110.274 175.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -64.14 -34.25 77.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.008 0.432 . . . . 0.0 110.112 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -65.31 -35.52 81.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.385 175.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 73' ' ' MET . 79.0 mt -65.98 -40.27 86.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.106 0.479 . . . . 0.0 109.747 173.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 74' ' ' VAL . 66.2 t -61.32 -35.2 64.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.503 175.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.99 -36.34 81.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.019 0.438 . . . . 0.0 110.915 177.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -71.32 -40.75 70.59 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 176.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.497 ' O ' HG22 ' A' ' 85' ' ' VAL . 48.9 t-20 -62.33 -38.75 90.64 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.836 177.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 29.0 tp -54.67 -36.59 64.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.945 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.448 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 26.1 t -71.1 -40.67 71.35 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.306 -178.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -70.15 -27.22 64.38 Favored 'General case' 0 C--N 1.334 -0.106 0 C-N-CA 119.842 -0.743 . . . . 0.0 109.974 176.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 81' ' ' ASN . 73.9 t -65.93 -54.08 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 175.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' A' ' 83' ' ' SER . 36.8 ptt180 -62.04 -22.34 65.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.953 0.406 . . . . 0.0 110.848 -179.315 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 54.1 tp -84.15 -56.03 3.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.671 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.406 ' O ' ' HD2' ' A' ' 90' ' ' HIS . 36.3 mt-10 -79.0 -23.63 44.27 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -174.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 -84.14 69.67 10.42 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 176.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.406 ' HD2' ' O ' ' A' ' 88' ' ' GLU . 6.4 p80 -79.02 103.8 9.21 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.97 -177.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -146.67 102.68 3.58 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.199 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -165.79 157.61 14.38 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 23.4 p-80 -63.37 108.2 1.27 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.639 0.733 . . . . 0.0 111.171 -174.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 82.4 t60 . . . . . 0 C--O 1.246 0.913 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.059 177.855 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.9 mtt . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.739 0.304 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.695 ' HA ' ' OE1' ' A' ' 6' ' ' GLN . 76.9 m-85 -100.94 113.73 26.96 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.099 0.476 . . . . 0.0 110.381 178.009 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.6 p -91.57 -177.02 4.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.017 -172.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.67 -34.64 67.56 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.96 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -62.79 -49.19 75.95 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 121.352 0.596 . . . . 0.0 110.102 177.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.695 ' OE1' ' HA ' ' A' ' 2' ' ' TYR . 86.3 mt-30 -69.68 -30.52 68.2 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.447 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 43.0 mttm -54.1 -44.24 71.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.794 -0.184 . . . . 0.0 110.97 177.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.28 -42.68 71.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.966 0.412 . . . . 0.0 110.666 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -64.76 -38.75 92.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.322 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 88.5 mt -72.0 -42.19 68.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.3 175.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.534 ' HE3' ' SD ' ' A' ' 26' ' ' MET . 80.3 tttt -55.11 -40.96 71.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.729 178.256 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -71.24 -30.91 66.91 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.266 177.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.98 -52.42 24.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.793 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.591 ' HB3' HD11 ' A' ' 48' ' ' LEU . 17.2 p -68.0 -25.75 65.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.045 -179.338 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.611 ' HG3' ' HB2' ' A' ' 22' ' ' ASP . 62.6 ttt-85 -61.46 -33.2 73.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.023 174.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.629 ' HG3' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER 61.22 -164.04 0.25 Allowed 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.367 176.002 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -93.92 2.51 69.4 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.904 175.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.4 ptp -124.59 131.39 53.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.058 0.456 . . . . 0.0 110.381 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.7 mt -69.77 -24.97 63.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.649 -169.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -61.59 -33.85 74.6 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.141 0.422 . . . . 0.0 112.141 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.629 HD12 ' HG3' ' A' ' 16' ' ' ARG . 53.8 mt -74.74 -26.81 60.04 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.528 -178.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.611 ' HB2' ' HG3' ' A' ' 15' ' ' ARG . 23.3 t70 -65.68 -31.05 71.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.423 0.63 . . . . 0.0 110.01 174.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.0 t -74.03 -24.91 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.283 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.514 HG21 ' HE2' ' A' ' 84' ' ' LYS . 47.9 t -109.82 -56.99 4.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -172.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.3 mt -79.14 -35.1 17.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.653 -0.248 . . . . 0.0 111.625 -170.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.568 ' HE2' ' HD3' ' A' ' 27' ' ' PRO . 16.4 tmm? -58.83 -53.39 66.86 Favored Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.491 -177.329 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.568 ' HD3' ' HE2' ' A' ' 26' ' ' MET . 39.0 Cg_endo -67.77 -27.13 38.09 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 121.457 1.438 . . . . 0.0 111.407 176.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -65.58 -38.92 90.91 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.127 178.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.444 ' HA ' ' HG ' ' A' ' 32' ' ' CYS . 47.0 t80 -57.48 -41.36 80.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.866 0.365 . . . . 0.0 110.739 178.009 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.75 -46.17 79.82 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.315 178.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -69.02 -51.29 40.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.106 -178.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.625 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 30.0 p -63.66 -39.56 94.64 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.201 -173.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -52.92 -42.63 65.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.822 0.344 . . . . 0.0 111.245 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -70.79 -21.8 62.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.095 0.474 . . . . 0.0 111.395 -178.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.9 t -104.82 -16.84 14.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.896 -173.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.625 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 37.2 mt -104.95 171.98 7.03 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.364 0.602 . . . . 0.0 111.268 -175.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 37.7 p -88.06 166.25 14.58 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.354 171.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.9 -34.75 78.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.255 0.55 . . . . 0.0 110.229 177.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 m -57.41 -50.06 74.22 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.852 176.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -61.85 -42.63 99.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.28 177.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.49 ' O ' HG23 ' A' ' 45' ' ' VAL . 5.2 tt0 -57.22 -42.52 81.53 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.406 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.01 -45.43 92.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.136 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.25 -39.42 82.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.722 178.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -68.41 -40.15 81.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.796 178.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 41' ' ' GLN . 87.0 t -66.01 -43.0 92.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.572 178.01 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.12 -36.33 70.54 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.632 HD23 ' HB3' ' A' ' 70' ' ' LEU . 76.2 mt -62.98 -50.94 68.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.868 175.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.591 HD11 ' HB3' ' A' ' 14' ' ' CYS . 87.1 mt -66.44 -23.06 66.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.865 -175.018 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -75.15 -13.43 60.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.936 0.398 . . . . 0.0 110.932 177.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.7 m -96.53 -168.62 1.76 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 173.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.542 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 19.0 t70 -98.58 155.91 17.06 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 170.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.521 ' OD2' ' HD2' ' A' ' 16' ' ' ARG . 35.8 m-20 -113.93 54.48 0.66 Allowed Pre-proline 0 N--CA 1.472 0.65 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 -170.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.542 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 2.7 Cg_exo -77.47 -29.95 4.39 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.428 1.419 . . . . 0.0 109.934 169.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -69.02 -47.3 65.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.19 177.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.478 HD21 HG23 ' A' ' 77' ' ' ILE . 7.1 tt -60.86 -49.07 78.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.735 -179.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -62.65 -30.77 71.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.097 0.475 . . . . 0.0 110.349 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.77 -45.04 83.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.309 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.526 ' HB2' HG11 ' A' ' 74' ' ' VAL . 27.1 m95 -65.26 -30.6 71.49 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.212 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.447 HG21 ' O ' ' A' ' 55' ' ' LEU . 62.3 t -64.79 -34.04 67.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.012 0.434 . . . . 0.0 110.217 176.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 68.5 mtm -88.95 -22.34 23.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.285 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.14 53.72 0.69 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 121.039 -0.6 . . . . 0.0 112.75 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -145.13 92.8 2.3 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -98.09 -125.38 5.22 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.78 -0.645 . . . . 0.0 113.28 -177.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 69.18 25.54 5.7 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.428 0.691 . . . . 0.0 111.721 -176.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 97.7 m -75.24 163.59 27.35 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.14 176.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -59.08 -50.24 74.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.446 -175.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -117.08 116.63 27.7 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.352 -169.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.1 mt -75.8 -22.48 56.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.734 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.81 -42.53 99.67 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.795 -0.717 . . . . 0.0 111.501 175.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.632 ' HB3' HD23 ' A' ' 47' ' ' LEU . 96.6 mt -68.82 -35.68 77.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.943 0.401 . . . . 0.0 110.052 174.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.64 -29.73 70.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.03 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.491 ' O ' ' HG3' ' A' ' 76' ' ' LYS . . . -65.08 -29.56 70.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.225 176.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 24.4 mmt -73.02 -36.54 67.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.606 176.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.526 HG11 ' HB2' ' A' ' 58' ' ' TRP . 46.5 t -67.54 -36.66 76.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.854 175.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -54.82 -39.87 68.97 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.622 175.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' A' ' 72' ' ' ALA . 65.4 mttm -69.43 -36.82 77.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.75 177.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.478 HG23 HD21 ' A' ' 55' ' ' LEU . 47.0 mm -59.38 -48.28 87.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 174.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.416 HG21 ' O ' ' A' ' 74' ' ' VAL . 59.0 t -64.04 -35.78 74.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.722 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.18 -42.8 99.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.321 . . . . 0.0 111.241 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -66.07 -42.93 88.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.239 0.543 . . . . 0.0 109.634 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.401 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 4.5 t30 -65.95 -36.32 83.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.047 177.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.434 HD21 ' O ' ' A' ' 82' ' ' LEU . 5.0 tt -54.76 -35.68 64.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.48 -177.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.419 ' HA ' ' HG2' ' A' ' 86' ' ' ARG . 14.4 m -64.17 -49.29 72.66 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.463 -178.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.514 ' HE2' HG21 ' A' ' 24' ' ' VAL . 21.1 pttp -69.95 -22.8 63.14 Favored 'General case' 0 N--CA 1.461 0.104 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.626 -178.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 93.2 t -79.98 -42.16 21.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.761 176.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.419 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 32.9 ptt180 -74.35 -21.79 59.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.895 -177.233 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.431 ' O ' HD23 ' A' ' 87' ' ' LEU . 6.3 tt -64.7 -33.57 76.26 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 172.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -74.92 151.37 38.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.303 178.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -94.68 12.97 25.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.112 0.482 . . . . 0.0 110.72 176.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.527 ' O ' ' HB2' ' A' ' 91' ' ' HIS . 69.7 m80 -78.4 112.45 15.44 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 165.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.527 ' HB2' ' O ' ' A' ' 90' ' ' HIS . 41.3 m80 72.93 -162.59 0.1 Allowed 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -166.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -118.62 163.24 17.1 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 12.2 p-80 -76.4 135.73 39.47 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 177.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 . . . . . 0 C--O 1.246 0.896 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.1 -176.876 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 120.961 0.41 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -84.27 145.46 28.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.033 -178.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.2 p -118.53 158.72 24.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.12 0.486 . . . . 0.0 111.865 -174.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.496 ' O ' ' HB2' ' A' ' 7' ' ' LYS . . . -65.62 -29.38 69.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.566 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.84 -39.94 90.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.311 0.577 . . . . 0.0 110.082 177.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -66.26 -29.6 69.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.347 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 4' ' ' ALA . 25.2 mtpp -56.69 -39.69 74.26 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.914 0.387 . . . . 0.0 110.444 174.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.08 -36.55 84.69 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.492 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -62.98 -34.02 76.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.362 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.4 mt -71.52 -43.99 71.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.985 175.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -57.35 -38.52 74.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.365 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -70.79 -22.82 62.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.496 178.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.72 22.88 14.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.691 -174.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.8 p -67.83 -25.89 65.79 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.716 0.294 . . . . 0.0 110.677 178.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.2 mtt180 75.71 134.77 0.05 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.265 -0.879 . . . . 0.0 112.598 175.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -71.17 -23.1 61.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.008 175.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.0 -20.71 74.93 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.162 177.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.538 ' HB3' ' HB3' ' A' ' 21' ' ' LEU . 1.5 mpt? -101.12 72.41 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.154 0.502 . . . . 0.0 109.826 177.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.92 -56.31 12.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.645 -172.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.0 mp0 -71.53 -31.38 66.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.052 0.454 . . . . 0.0 110.779 -179.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.538 ' HB3' ' HB3' ' A' ' 18' ' ' MET . 5.3 tp -68.29 -38.02 81.24 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.275 -176.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -51.59 -38.21 53.5 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.648 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.9 t -71.17 -37.27 65.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.651 -176.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.544 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 35.7 m -91.77 -27.62 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -172.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 21' ' ' LEU . 65.9 mt -59.08 -42.38 86.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -175.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.7 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 42.5 tpp -57.09 -53.66 62.93 Favored Pre-proline 0 CA--C 1.542 0.669 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -172.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.7 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 2.8 Cg_exo -78.45 -32.63 2.15 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 122.124 1.883 . . . . 0.0 112.666 177.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -67.72 -36.65 81.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.854 -0.157 . . . . 0.0 110.8 -178.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.601 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 87.5 t80 -56.76 -44.68 82.01 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.783 0.325 . . . . 0.0 110.23 177.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -57.67 -45.21 85.87 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.159 178.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -72.87 -35.61 67.2 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.837 -177.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.601 ' SG ' ' HA ' ' A' ' 29' ' ' PHE . 28.2 p -75.98 -34.01 59.76 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.282 178.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -62.32 -36.35 81.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.166 0.507 . . . . 0.0 110.476 177.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -63.22 -28.1 69.81 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.276 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.3 t -97.65 -44.8 6.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.217 -176.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 51.4 mt -75.49 144.44 42.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.626 0.25 . . . . 0.0 110.91 -176.034 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -94.39 -178.49 4.6 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 173.432 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -54.57 -43.51 72.14 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -176.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.5 m -57.88 -51.57 69.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.955 0.407 . . . . 0.0 111.408 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.2 mp0 -70.28 -41.52 73.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.187 -178.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.434 ' O ' HG23 ' A' ' 45' ' ' VAL . 2.8 tt0 -62.37 -40.97 98.18 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.156 -178.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -62.89 -40.88 98.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.36 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -59.61 -43.18 93.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.111 177.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.604 ' HA ' ' HE2' ' A' ' 73' ' ' MET . 64.1 t80 -64.84 -49.3 71.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.376 177.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 41' ' ' GLN . 90.9 t -64.49 -39.35 85.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.183 -178.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.49 -36.97 79.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.932 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.434 HD21 HD22 ' A' ' 70' ' ' LEU . 33.1 tp -67.82 -35.93 79.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.104 177.442 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 44' ' ' PHE . 86.7 mt -59.23 -31.23 68.86 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -176.051 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -78.74 -14.06 59.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.011 0.434 . . . . 0.0 111.185 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.0 t -96.25 -177.9 4.13 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 177.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -112.78 113.52 25.65 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 177.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.804 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -118.46 87.2 30.28 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 121.54 0.686 . . . . 0.0 111.727 -176.115 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -68.04 -27.26 36.3 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.633 2.222 . . . . 0.0 110.5 173.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.519 ' O ' ' HD1' ' A' ' 58' ' ' TRP . 4.6 m-20 -65.11 -38.11 89.62 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.343 174.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.804 ' HB2' ' HB3' ' A' ' 52' ' ' ASP . 1.1 tt -58.04 -50.18 74.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.14 176.173 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -63.98 -34.64 78.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.222 176.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.555 ' HB2' ' O ' ' A' ' 62' ' ' HIS . . . -63.39 -39.94 95.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.511 179.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.519 ' HD1' ' O ' ' A' ' 54' ' ' ASP . 17.1 m95 -64.74 -37.28 87.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 110.806 177.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.2 t -65.9 -39.57 85.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.428 176.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 86.6 mmm -75.65 -21.26 57.84 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.762 0.315 . . . . 0.0 111.34 176.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.75 27.13 22.8 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 121.105 -0.569 . . . . 0.0 112.656 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.555 ' O ' ' HB2' ' A' ' 57' ' ' ALA . 94.7 m-70 -145.99 77.31 1.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.883 0.342 . . . . 0.0 111.064 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -179.52 163.92 31.61 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 119.897 -1.144 . . . . 0.0 112.841 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 73.6 mtt-85 -127.17 138.42 53.14 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 35.7 t -89.34 146.96 24.35 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -177.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -69.11 -37.75 78.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.071 0.462 . . . . 0.0 110.286 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -138.06 118.13 13.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.904 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 31.1 mt -65.36 -14.9 61.89 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -173.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.43 -44.18 98.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.584 -0.817 . . . . 0.0 111.271 173.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.434 HD22 HD21 ' A' ' 47' ' ' LEU . 37.9 mt -65.06 -42.19 94.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.291 0.567 . . . . 0.0 109.736 173.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.84 -23.87 67.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.487 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.58 -45.9 90.5 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.917 0.339 . . . . 0.0 111.917 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.604 ' HE2' ' HA ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -75.4 -28.99 59.66 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.951 177.49 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.433 ' O ' HG22 ' A' ' 78' ' ' VAL . 78.8 t -65.1 -36.32 77.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 175.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -54.24 -41.88 69.24 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.576 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -66.55 -37.75 85.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.099 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 63.7 mt -70.63 -40.43 77.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.495 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 74' ' ' VAL . 78.6 t -59.49 -47.93 89.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.17 -39.39 92.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.168 0.509 . . . . 0.0 110.629 178.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -60.73 -48.43 81.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.632 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.451 ' O ' HG22 ' A' ' 85' ' ' VAL . 9.3 t30 -67.07 -40.52 87.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.684 178.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.4 tt -56.29 -43.22 78.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.017 0.437 . . . . 0.0 109.989 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.482 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 8.0 t -66.92 -44.81 79.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.48 -177.033 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -69.31 -22.55 63.78 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.05 -178.403 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 81' ' ' ASN . 73.8 t -79.66 -39.8 20.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.883 176.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.482 ' HG2' ' O ' ' A' ' 83' ' ' SER . 40.3 ptt180 -73.7 -24.9 60.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.929 0.395 . . . . 0.0 111.003 -178.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 83' ' ' SER . 78.3 mt -70.45 -44.22 68.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.676 175.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 56.58 85.44 0.08 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.439 -177.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -87.4 -31.51 20.04 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 170.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -136.94 -80.42 0.38 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.204 171.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 55.37 80.96 0.12 Allowed 'General case' 0 CA--C 1.531 0.23 0 O-C-N 123.821 0.701 . . . . 0.0 111.669 175.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -125.39 89.65 3.08 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.345 176.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 25.9 p80 52.87 -53.06 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 125.461 1.504 . . . . 0.0 113.281 -171.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 . . . . . 0 C--O 1.247 0.944 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 173.347 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.3 ttm . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 120.571 0.224 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -123.62 103.73 8.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.058 0.456 . . . . 0.0 110.966 177.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.449 ' HG1' ' CD ' ' A' ' 5' ' ' GLU . 46.5 p -104.75 -163.75 0.99 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.969 176.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.22 -35.83 78.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.621 0.248 . . . . 0.0 111.634 -177.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.449 ' CD ' ' HG1' ' A' ' 3' ' ' THR . 2.4 mp0 -60.3 -42.58 95.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.594 179.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -69.5 -36.35 76.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.396 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -60.35 -35.31 75.37 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.678 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . . . -64.65 -36.87 85.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.973 178.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -63.63 -36.3 83.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.133 0.492 . . . . 0.0 110.265 176.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.1 mt -70.61 -49.78 49.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.959 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.678 ' HG2' ' HA ' ' A' ' 8' ' ' ALA . 18.5 ptpt -60.84 -34.71 74.98 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.939 0.4 . . . . 0.0 111.419 -178.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -71.03 -22.49 62.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.566 177.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.406 ' HB2' ' HA ' ' A' ' 49' ' ' GLU . . . -97.77 -41.28 8.14 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -173.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.401 ' SG ' ' HA ' ' A' ' 11' ' ' LYS . 19.9 p -64.74 -26.3 68.3 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -173.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.495 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 93.5 mtt180 -90.35 -176.44 4.8 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.471 -176.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.495 ' HB2' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 75.49 138.98 0.06 Allowed 'General case' 0 N--CA 1.47 0.535 0 O-C-N 124.008 0.817 . . . . 0.0 111.091 -172.455 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.04 -65.13 3.94 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.382 -0.826 . . . . 0.0 112.176 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.5 ptt? -132.08 111.3 11.36 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.27 0.557 . . . . 0.0 110.627 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 84.0 mt -81.46 -27.29 34.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.521 -177.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -56.52 -44.88 81.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.623 -176.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.469 ' O ' HG13 ' A' ' 25' ' ' ILE . 4.4 mm? -64.0 -44.97 91.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.499 -176.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -56.29 -33.88 65.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.927 0.394 . . . . 0.0 111.443 -177.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.7 t -59.55 -37.96 72.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.843 -177.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.6 m -100.45 -25.03 3.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -176.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 21' ' ' LEU . 74.2 mt -67.67 -52.28 42.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 111.705 0.261 . . . . 0.0 111.705 -176.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.607 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 53.7 ttp -57.66 -53.49 65.09 Favored Pre-proline 0 CA--C 1.54 0.588 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -172.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.607 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 24.3 Cg_exo -63.89 -36.79 48.13 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.964 1.776 . . . . 0.0 112.371 -178.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -69.53 -40.89 76.63 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 177.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -58.9 -44.35 91.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.647 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -54.39 -45.12 72.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.081 0.467 . . . . 0.0 111.461 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -75.01 -45.5 41.41 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.761 178.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 35.1 t -65.09 -34.1 77.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.937 0.399 . . . . 0.0 111.079 -176.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -53.35 -35.54 60.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.831 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -58.27 -30.61 66.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.1 0.476 . . . . 0.0 110.802 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.2 t -98.26 -26.52 14.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.805 -178.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.1 mt -72.39 139.02 47.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.199 0.523 . . . . 0.0 110.873 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.4 p -91.28 169.54 10.73 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.016 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -50.71 -46.19 58.79 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.319 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.4 p -61.18 -49.49 76.99 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.616 -177.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -62.93 -47.0 85.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.585 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.422 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -59.96 -41.37 91.77 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.02 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -61.22 -45.07 96.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -62.04 -42.91 99.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.802 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.457 ' CZ ' HD12 ' A' ' 48' ' ' LEU . 35.2 t80 -62.54 -48.32 80.01 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.154 179.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 41' ' ' GLN . 87.7 t -60.75 -48.84 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.348 -178.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.26 -33.21 71.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.395 -177.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 1.012 HD22 HD11 ' A' ' 70' ' ' LEU . 17.3 tp -68.0 -40.95 82.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.888 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.457 HD12 ' CZ ' ' A' ' 44' ' ' PHE . 97.5 mt -69.81 -16.74 63.33 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -174.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.406 ' HA ' ' HB2' ' A' ' 13' ' ' ALA . 38.7 mt-10 -58.51 -35.07 71.68 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -168.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 39.4 m -152.69 113.45 4.13 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 122.082 -0.386 . . . . 0.0 111.75 172.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.0 t70 55.25 119.37 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 O-C-N 124.765 1.291 . . . . 0.0 113.435 175.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.711 ' CG ' ' HB2' ' A' ' 55' ' ' LEU . 4.1 t0 -114.04 85.85 10.65 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.043 178.284 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -77.5 -27.3 6.42 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.558 2.172 . . . . 0.0 111.674 177.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -65.23 -47.77 75.63 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 176.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.711 ' HB2' ' CG ' ' A' ' 52' ' ' ASP . 0.4 OUTLIER -58.97 -50.96 72.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.526 -1.216 . . . . 0.0 110.19 176.524 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -58.94 -47.34 85.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.067 -178.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.37 -34.25 77.55 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -175.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -81.58 -31.46 32.56 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.519 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.465 ' HA ' HG21 ' A' ' 78' ' ' VAL . 74.1 t -68.69 -39.7 80.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.042 0.449 . . . . 0.0 110.316 173.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.441 ' SD ' ' HB3' ' A' ' 92' ' ' HIS . 25.8 mmt -79.96 -14.35 58.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.135 179.186 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.52 45.68 10.76 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.076 -0.583 . . . . 0.0 113.253 176.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -123.89 -15.9 6.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.949 0.374 . . . . 0.0 111.473 176.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.56 115.04 0.05 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 114.867 0.707 . . . . 0.0 114.867 172.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -145.92 14.71 1.35 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.663 0.268 . . . . 0.0 110.928 173.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 19.9 t -101.68 123.33 45.49 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.463 -173.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -84.44 -34.35 23.49 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.557 -175.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -105.01 118.79 37.41 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.241 0.543 . . . . 0.0 110.959 -178.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.497 ' HA ' ' HB1' ' A' ' 71' ' ' ALA . 32.0 mt -72.49 -12.77 61.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.176 -177.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.77 -47.96 87.66 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.588 -0.815 . . . . 0.0 111.566 174.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 1.012 HD11 HD22 ' A' ' 47' ' ' LEU . 35.1 mt -72.22 -44.87 62.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.409 . . . . 0.0 110.731 174.225 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.497 ' HB1' ' HA ' ' A' ' 68' ' ' LEU . . . -57.11 -28.52 62.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.756 -178.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.22 -46.39 89.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.135 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.51 ' HG3' ' O ' ' A' ' 70' ' ' LEU . 3.4 ppp? -74.01 -28.79 61.62 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.144 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.433 ' O ' HG23 ' A' ' 78' ' ' VAL . 74.4 t -69.01 -41.2 81.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.933 0.397 . . . . 0.0 110.171 176.199 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -60.8 -34.38 74.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.546 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -59.04 -40.34 84.75 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.036 0.446 . . . . 0.0 110.31 175.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.5 mt -69.89 -43.33 79.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.156 177.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.465 HG21 ' HA ' ' A' ' 59' ' ' VAL . 67.6 t -61.5 -38.75 80.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.812 179.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.93 -36.7 82.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.96 177.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -71.58 -36.3 70.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.328 177.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.455 ' O ' HG23 ' A' ' 85' ' ' VAL . 64.0 t30 -70.08 -34.93 73.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.804 178.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 tt -53.95 -43.94 70.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.873 -176.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.641 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 11.9 p -67.97 -31.02 70.46 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.72 0.295 . . . . 0.0 110.879 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.493 ' HA ' HD12 ' A' ' 87' ' ' LEU . 27.4 mtpp -69.04 -33.82 74.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.051 0.453 . . . . 0.0 110.23 177.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 81' ' ' ASN . 60.9 t -67.49 -39.66 82.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.385 178.358 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 83' ' ' SER . 12.9 ptm180 -78.04 -23.3 48.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.703 -178.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' A' ' 83' ' ' SER . 74.5 mt -61.5 -58.96 6.06 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.885 0.374 . . . . 0.0 110.244 174.658 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -118.76 -98.53 0.45 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.363 178.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -179.33 97.36 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.861 0.362 . . . . 0.0 110.427 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -151.97 103.41 2.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.828 177.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -98.51 -41.72 7.63 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 172.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.441 ' HB3' ' SD ' ' A' ' 60' ' ' MET . 5.9 p-80 -177.91 123.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.552 -1.204 . . . . 0.0 109.065 167.07 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -166.68 143.68 4.86 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.581 -172.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.629 -0.701 . . . . 0.0 110.426 177.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.8 ttp . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 120.705 0.288 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.425 ' HD1' ' HG2' ' A' ' 6' ' ' GLN . 54.9 m-85 -119.14 136.87 53.96 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 172.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 68.0 p -98.85 -174.04 2.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.814 -0.176 . . . . 0.0 110.579 -174.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.54 -32.84 67.49 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.724 0.297 . . . . 0.0 111.432 -177.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -60.46 -50.15 74.72 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 177.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.425 ' HG2' ' HD1' ' A' ' 2' ' ' TYR . 26.7 mp0 -70.19 -37.82 75.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.048 178.164 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -56.17 -40.27 73.64 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.829 0.347 . . . . 0.0 110.979 178.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.424 ' O ' ' HD1' ' A' ' 12' ' ' TRP . . . -61.44 -47.06 87.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.994 178.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -62.35 -36.96 83.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.074 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 6' ' ' GLN . 81.5 mt -64.62 -44.74 96.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.022 0.439 . . . . 0.0 110.065 177.232 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.628 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 87.5 tttt -63.03 -37.16 86.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.714 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.424 ' HD1' ' O ' ' A' ' 8' ' ' ALA . 11.6 m95 -62.76 -25.18 68.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.542 178.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.83 -29.94 23.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.073 178.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 58.2 m -73.31 -46.06 51.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.982 0.42 . . . . 0.0 110.882 -179.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.628 ' HG3' ' O ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -97.72 -174.25 2.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.881 177.564 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 74.07 -39.44 0.43 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.075 0.55 . . . . 0.0 110.79 -177.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.429 ' H ' ' C ' ' A' ' 15' ' ' ARG . . . -86.49 -111.47 0.85 Allowed Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 121.297 -0.478 . . . . 0.0 112.204 177.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.554 ' HG2' HD21 ' A' ' 21' ' ' LEU . 54.6 tpp -92.65 96.73 10.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.056 0.455 . . . . 0.0 111.146 -176.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 72.2 mt -73.94 -21.3 60.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.788 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -60.37 -31.03 69.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.522 176.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.554 HD21 ' HG2' ' A' ' 18' ' ' MET . 4.3 mm? -93.25 -23.59 18.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.825 178.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -54.05 -36.09 62.71 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.186 0.517 . . . . 0.0 110.667 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.8 t -57.95 -35.06 50.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.002 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.1 p -104.32 -33.93 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.759 0.314 . . . . 0.0 111.469 -176.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 63.2 mt -70.63 -46.13 71.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -175.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.556 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 78.9 mmm -59.67 -53.7 63.09 Favored Pre-proline 0 N--CA 1.466 0.354 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -174.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.53 ' HD3' ' HB2' ' A' ' 26' ' ' MET . 50.7 Cg_exo -58.08 -38.71 90.54 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 121.72 1.613 . . . . 0.0 112.279 179.029 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.495 ' HZ ' ' HB3' ' A' ' 76' ' ' LYS . 55.6 t80 -69.32 -41.98 75.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.569 177.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -58.77 -42.07 88.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.663 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.556 ' HG3' ' O ' ' A' ' 26' ' ' MET . 38.7 mt-10 -54.94 -45.18 74.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.528 0.68 . . . . 0.0 111.12 178.304 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -77.56 -40.76 41.35 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.695 -177.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.609 ' HG ' ' HG ' ' A' ' 36' ' ' LEU . 38.4 t -83.19 -21.8 33.37 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -173.113 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -53.49 -50.62 64.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.897 0.379 . . . . 0.0 111.254 -179.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -69.47 -24.37 63.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.074 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.9 t -80.21 -21.3 43.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.304 -173.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.609 ' HG ' ' HG ' ' A' ' 32' ' ' CYS . 80.1 mt -96.53 155.4 16.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.745 0.307 . . . . 0.0 111.055 -178.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 48.3 p -83.31 171.49 13.5 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 172.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -57.89 -41.9 83.52 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -174.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.27 -45.27 85.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.239 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.428 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . 40.1 mt-10 -64.85 -40.54 95.33 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.31 0.576 . . . . 0.0 110.14 178.127 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.479 ' O ' HG21 ' A' ' 45' ' ' VAL . 6.4 tt0 -56.47 -48.59 76.78 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.767 176.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -69.1 -34.54 75.24 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.856 -177.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -63.5 -43.31 97.62 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.229 178.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -65.47 -42.56 92.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.456 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.479 HG21 ' O ' ' A' ' 41' ' ' GLN . 94.1 t -61.29 -37.94 78.73 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.864 177.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.05 -39.35 78.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 177.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.549 HD13 HD21 ' A' ' 70' ' ' LEU . 6.1 tt -64.37 -39.44 93.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.431 178.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.5 mt -63.14 -22.69 67.03 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -174.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -80.22 -13.85 58.9 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.114 178.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.1 t -96.95 -172.07 2.37 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.974 -178.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.589 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 7.4 m-20 -87.6 175.19 8.03 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 177.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.576 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 9.5 p-10 -121.18 51.61 2.57 Favored Pre-proline 0 CA--C 1.543 0.693 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -179.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.589 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 1.6 Cg_endo -83.82 -54.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.061 1.841 . . . . 0.0 110.713 176.112 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.453 ' O ' ' HD1' ' A' ' 58' ' ' TRP . 2.4 m-20 -59.65 -41.58 90.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.981 175.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.518 ' O ' HG22 ' A' ' 59' ' ' VAL . 9.3 tt -58.98 -50.15 75.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.068 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -60.33 -38.26 83.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.185 0.516 . . . . 0.0 110.43 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.6 -40.87 84.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.668 -178.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.454 ' HB2' HG11 ' A' ' 74' ' ' VAL . 21.0 m95 -67.46 -33.32 74.89 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.677 0.275 . . . . 0.0 111.027 179.21 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 55' ' ' LEU . 86.4 t -61.93 -36.5 74.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.051 0.453 . . . . 0.0 110.353 176.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 22.1 mmt -87.13 -18.18 31.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.014 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.11 22.87 31.3 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.623 176.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -114.43 -3.65 13.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.226 0.536 . . . . 0.0 110.206 -178.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -88.24 163.04 32.65 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.653 -0.784 . . . . 0.0 113.635 -170.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -148.75 136.17 20.34 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 176.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 29.8 t -130.09 169.86 14.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.778 0.323 . . . . 0.0 110.994 -172.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -86.14 -42.46 13.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.806 -177.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -117.96 131.58 56.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.401 0.619 . . . . 0.0 110.674 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.5 mt -76.19 -17.54 59.48 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.981 -176.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -59.38 -48.2 87.14 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.635 -0.793 . . . . 0.0 111.973 178.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.549 HD21 HD13 ' A' ' 47' ' ' LEU . 58.2 mt -71.57 -30.95 66.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.993 0.425 . . . . 0.0 110.748 176.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.35 -36.79 83.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.474 ' O ' ' HG3' ' A' ' 76' ' ' LYS . . . -66.79 -27.77 67.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.755 178.127 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 23.6 mmt -64.91 -45.92 83.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.152 0.501 . . . . 0.0 109.833 175.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.506 ' O ' HG23 ' A' ' 78' ' ' VAL . 31.4 t -65.89 -36.73 78.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.387 178.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -54.4 -45.09 72.84 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.913 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.495 ' HB3' ' HZ ' ' A' ' 28' ' ' PHE . 57.4 mttm -67.79 -34.92 77.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.717 -179.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 71.2 mt -63.66 -43.52 98.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.177 175.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 74' ' ' VAL . 72.0 t -62.04 -42.88 96.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.537 178.377 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.55 -42.23 87.37 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.278 177.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -71.77 -37.03 70.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.16 0.505 . . . . 0.0 110.262 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -60.23 -33.5 72.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.948 178.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.6 tp -53.66 -30.86 45.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.012 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.538 ' HA ' ' HG2' ' A' ' 86' ' ' ARG . 22.6 t -64.49 -41.03 96.7 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.598 176.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -67.77 -33.74 75.44 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 175.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.479 HG11 ' HD1' ' A' ' 92' ' ' HIS . 99.4 t -68.04 -39.98 82.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.044 179.26 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.538 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 31.4 ptt85 -77.82 -21.21 51.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.106 0.479 . . . . 0.0 110.885 -178.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 64.8 tp -88.08 -55.03 3.92 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.141 -178.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -77.73 110.12 12.31 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.115 0.483 . . . . 0.0 111.341 -175.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 67.15 14.66 9.85 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.055 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 39.5 m80 73.73 -48.2 0.66 Allowed 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 172.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -162.48 169.33 20.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.898 0.38 . . . . 0.0 111.382 -176.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.479 ' HD1' HG11 ' A' ' 85' ' ' VAL . 37.9 m80 -128.93 115.21 17.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.007 176.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -81.3 137.05 35.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.706 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 44.1 m170 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.445 -0.788 . . . . 0.0 110.143 175.446 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.1 mtt . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 110.619 -0.141 . . . . 0.0 110.619 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -62.5 105.41 0.63 Allowed 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 121.348 0.594 . . . . 0.0 109.575 170.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.4 p -90.29 -174.64 4.24 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.895 -1.048 . . . . 0.0 112.376 -171.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.493 ' HA ' ' HG2' ' A' ' 7' ' ' LYS . . . -59.36 -30.72 68.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.851 175.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 21.7 tt0 -64.35 -49.41 71.78 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 121.351 0.596 . . . . 0.0 109.633 175.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.496 ' O ' HG13 ' A' ' 10' ' ' ILE . 77.6 mm-40 -66.08 -42.92 88.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.062 -175.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.493 ' HG2' ' HA ' ' A' ' 4' ' ' ALA . 20.9 ptmt -61.57 -33.42 73.84 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.582 -179.347 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.88 -41.25 71.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.937 0.399 . . . . 0.0 110.201 177.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 5' ' ' GLU . 28.4 mtp180 -62.69 -32.7 73.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.277 176.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 6' ' ' GLN . 78.3 mt -65.45 -43.21 94.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.596 174.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.614 ' HG2' ' HE1' ' A' ' 26' ' ' MET . 2.3 tmtp? -56.95 -35.26 68.89 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.553 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -58.1 -32.98 68.61 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.972 176.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.69 40.54 1.47 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.983 0.42 . . . . 0.0 110.575 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 3.7 p -61.48 -24.81 66.83 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.892 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.758 HH21 ' HA ' ' A' ' 49' ' ' GLU . 36.0 mmt180 75.22 163.36 0.26 Allowed 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.353 0.661 . . . . 0.0 111.545 178.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -122.31 109.95 15.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.946 -177.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -134.81 -60.07 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.374 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.3 tpt -162.44 142.21 9.55 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -178.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.6 mt -61.39 -36.36 80.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 111.087 -178.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.463 ' O ' HG22 ' A' ' 24' ' ' VAL . 27.7 mm-40 -64.81 -42.64 94.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.69 175.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.532 ' O ' HG12 ' A' ' 25' ' ' ILE . 4.4 tt -69.13 -36.88 77.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.283 -174.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -57.47 -43.73 84.27 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.506 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.13 -22.45 30.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.205 -178.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 20' ' ' GLU . 5.0 t -93.31 1.65 9.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.265 0.555 . . . . 0.0 110.293 -179.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.532 HG12 ' O ' ' A' ' 21' ' ' LEU . 46.2 mm -104.09 -65.43 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.602 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.707 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 34.7 tpp -68.56 -53.53 16.49 Favored Pre-proline 0 CA--C 1.535 0.385 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -170.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.707 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 31.0 Cg_exo -63.39 -29.25 71.91 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 121.699 1.6 . . . . 0.0 111.796 176.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.516 ' HZ ' ' HB3' ' A' ' 76' ' ' LYS . 70.7 t80 -69.85 -36.38 75.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.388 176.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -56.9 -41.07 77.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.219 177.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -55.53 -45.2 77.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.967 178.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -71.05 -51.28 26.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.961 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.0 t -70.02 -31.66 69.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.799 -170.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -53.93 -36.78 63.15 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 122.396 0.278 . . . . 0.0 111.667 -177.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -68.61 -20.23 64.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.022 0.439 . . . . 0.0 111.034 -178.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.1 m -107.2 -6.48 17.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.365 -178.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 66.5 mt -89.43 143.13 27.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.105 0.478 . . . . 0.0 111.47 -178.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.6 p -108.63 164.98 11.88 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.498 172.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -54.62 -38.1 66.42 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.97 0.414 . . . . 0.0 110.982 -179.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 m -57.6 -49.72 75.49 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.09 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -71.88 -39.14 69.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 178.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.466 ' O ' HG21 ' A' ' 45' ' ' VAL . 49.9 mt-30 -61.6 -39.76 92.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.678 -177.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -64.07 -45.56 88.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.937 0.399 . . . . 0.0 110.9 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -65.03 -35.78 82.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.674 178.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -68.23 -44.19 76.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.278 178.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.466 HG21 ' O ' ' A' ' 41' ' ' GLN . 73.7 t -62.99 -41.5 93.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.777 0.322 . . . . 0.0 110.517 178.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.61 -33.43 72.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.145 0.497 . . . . 0.0 110.744 176.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.534 ' HB2' HD23 ' A' ' 70' ' ' LEU . 54.7 tp -67.47 -38.15 83.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.09 177.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.0 mt -71.38 -18.22 62.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 112.074 -175.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.758 ' HA ' HH21 ' A' ' 15' ' ' ARG . 38.3 mt-10 -85.8 -12.59 50.54 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.652 0.242 . . . . 0.0 111.652 177.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.2 m -71.82 178.56 3.59 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.225 0.536 . . . . 0.0 111.504 -178.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -83.69 12.0 6.53 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.712 0.768 . . . . 0.0 110.001 177.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.575 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 10.5 m-20 50.82 52.43 12.28 Favored Pre-proline 0 CA--C 1.532 0.256 0 CA-C-N 114.601 -1.181 . . . . 0.0 112.35 -176.317 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.575 ' HD3' ' N ' ' A' ' 52' ' ' ASP . 5.2 Cg_endo -87.4 -56.67 0.02 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 121.873 1.716 . . . . 0.0 111.578 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.459 ' HB2' ' HB3' ' A' ' 65' ' ' CYS . 23.4 p-10 -70.5 -32.87 70.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.069 176.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.493 ' O ' HG21 ' A' ' 59' ' ' VAL . 6.9 tt -60.85 -50.57 72.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.682 175.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -63.8 -38.14 89.98 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.999 0.428 . . . . 0.0 110.494 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.624 ' HB2' ' HA3' ' A' ' 63' ' ' GLY . . . -57.35 -47.29 82.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.946 -178.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.49 ' HB2' HG13 ' A' ' 74' ' ' VAL . 31.1 m95 -74.71 -28.58 60.86 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.725 -176.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.493 HG21 ' O ' ' A' ' 55' ' ' LEU . 91.8 t -59.29 -42.77 88.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 120.907 0.384 . . . . 0.0 110.338 175.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 87.6 mtp -87.22 -20.05 27.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.583 178.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.16 33.36 17.84 Favored Glycine 0 C--N 1.331 0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.647 177.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -156.58 97.55 1.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 122.399 0.28 . . . . 0.0 110.529 -175.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.624 ' HA3' ' HB2' ' A' ' 57' ' ' ALA . . . 160.05 -31.53 0.4 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.359 -0.924 . . . . 0.0 113.43 174.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 62.76 -175.64 0.15 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.07 0.462 . . . . 0.0 111.452 -177.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.481 ' SG ' ' HB1' ' A' ' 71' ' ' ALA . 25.1 p -149.34 -178.25 6.3 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.369 -178.141 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -94.52 -35.74 12.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.251 0.548 . . . . 0.0 110.168 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -118.79 120.56 37.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.063 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.0 mt -70.52 -17.92 62.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.812 179.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.58 -47.15 91.48 Favored Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 174.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.534 HD23 ' HB2' ' A' ' 47' ' ' LEU . 99.0 mt -58.03 -43.85 86.99 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.199 0.523 . . . . 0.0 109.951 174.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.481 ' HB1' ' SG ' ' A' ' 65' ' ' CYS . . . -65.6 -26.01 67.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.433 -179.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.489 ' O ' ' HG3' ' A' ' 76' ' ' LYS . . . -62.94 -43.0 99.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.594 179.303 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 5.1 mpp? -69.08 -39.29 79.15 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.673 176.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.511 ' O ' HG21 ' A' ' 78' ' ' VAL . 46.0 t -62.5 -40.68 89.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.85 0.357 . . . . 0.0 110.598 178.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -60.64 -38.51 85.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.596 177.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.516 ' HB3' ' HZ ' ' A' ' 28' ' ' PHE . 97.6 mttt -61.99 -40.45 95.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.73 176.223 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 78.3 mt -63.36 -46.6 95.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.271 176.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.511 HG21 ' O ' ' A' ' 74' ' ' VAL . 84.1 t -56.79 -34.61 43.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.124 178.651 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.69 -46.5 88.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.813 0.34 . . . . 0.0 111.052 178.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -67.73 -36.1 79.96 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.592 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 58.0 t30 -63.64 -48.01 78.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.383 177.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.0 tt -57.57 -37.12 72.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.284 0.564 . . . . 0.0 109.633 177.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.499 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 21.9 t -63.58 -43.48 96.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.169 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.592 ' HG2' ' O ' ' A' ' 81' ' ' ASN . 11.7 ptmm? -69.38 -26.08 64.48 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.491 -0.483 . . . . 0.0 109.996 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.44 HG21 ' O ' ' A' ' 81' ' ' ASN . 95.2 t -74.93 -46.36 40.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.688 177.233 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -66.21 -23.3 66.41 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.136 0.493 . . . . 0.0 111.041 -179.495 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.424 ' N ' ' HD3' ' A' ' 86' ' ' ARG . 60.2 tp -70.45 -38.68 74.54 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.004 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.424 ' HB3' ' HD2' ' A' ' 89' ' ' HIS . 30.6 mt-10 -92.46 -86.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -176.075 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.507 ' O ' ' HB2' ' A' ' 90' ' ' HIS . 1.6 p80 -153.4 107.18 3.02 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -169.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.524 ' O ' ' HD2' ' A' ' 92' ' ' HIS . 35.2 t-80 168.56 119.62 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 173.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -57.86 131.07 49.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.225 0.536 . . . . 0.0 110.869 -175.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.524 ' HD2' ' O ' ' A' ' 90' ' ' HIS . 17.0 p80 -143.85 148.5 35.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.813 -172.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -163.19 142.26 8.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.082 176.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.4 m170 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.128 -0.939 . . . . 0.0 109.735 172.799 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.2 tpp . . . . . 0 N--CA 1.478 0.957 0 CA-C-O 120.804 0.335 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.618 ' HE1' ' HE3' ' A' ' 7' ' ' LYS . 3.9 p90 -85.3 164.69 17.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.434 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.3 p -102.63 -171.84 2.03 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.894 -175.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 7' ' ' LYS . . . -57.35 -34.39 68.76 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.742 -176.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.4 -36.75 83.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.722 0.296 . . . . 0.0 111.419 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -70.45 -35.63 73.45 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 176.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.618 ' HE3' ' HE1' ' A' ' 2' ' ' TYR . 32.5 mmtp -59.48 -32.67 70.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.807 176.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.04 -36.41 72.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.837 -178.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -62.45 -42.43 99.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.258 0.552 . . . . 0.0 109.935 177.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 64.6 mt -65.66 -43.29 93.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.963 176.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -54.56 -36.48 64.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.834 -1.076 . . . . 0.0 111.772 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -66.42 -25.4 66.74 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -179.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.37 -49.92 3.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.966 0.412 . . . . 0.0 111.477 -177.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 84.6 m -63.31 -23.87 67.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.271 -177.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -51.1 -33.66 27.14 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.738 0.304 . . . . 0.0 111.106 177.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 16' ' ' ARG . 20.6 ttm-85 -101.17 -48.24 4.47 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 173.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.424 ' O ' ' HB3' ' A' ' 18' ' ' MET . . . 87.68 -29.62 5.31 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.627 -0.715 . . . . 0.0 113.338 174.312 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.424 ' HB3' ' O ' ' A' ' 17' ' ' GLY . 14.0 ttt 66.02 100.97 0.04 OUTLIER 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -173.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.7 mt -54.84 -30.69 58.17 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -167.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -68.19 -20.32 64.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.824 0.345 . . . . 0.0 111.315 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.5 mt -120.8 -30.27 4.48 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.062 -175.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -53.07 -44.16 67.27 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.355 0.662 . . . . 0.0 112.224 -176.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.7 m -66.63 -13.53 16.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.112 -176.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.8 t -106.67 -46.34 8.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.938 0.399 . . . . 0.0 110.78 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 62.1 mt -67.02 -46.7 84.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.169 -175.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.413 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 43.9 ttm -57.58 -54.39 55.56 Favored Pre-proline 0 CA--C 1.536 0.425 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -173.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' A' ' 26' ' ' MET . 28.4 Cg_endo -63.87 -37.05 46.85 Favored 'Trans proline' 0 C--N 1.357 0.977 0 C-N-CA 121.781 1.654 . . . . 0.0 112.138 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -60.7 -47.61 85.48 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.236 178.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -58.67 -48.83 79.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.786 -178.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -59.21 -45.34 91.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.117 0.484 . . . . 0.0 111.548 -177.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -72.92 -51.61 17.83 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.362 -0.835 . . . . 0.0 112.01 -177.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.454 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 6.9 t -83.2 -19.87 35.71 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -167.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -50.88 -38.42 49.47 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.852 0.358 . . . . 0.0 111.749 -177.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -65.83 -21.99 66.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.254 0.549 . . . . 0.0 111.461 -179.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.0 m -113.65 1.51 14.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.441 -176.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 70.7 mt -89.63 135.17 33.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.854 0.359 . . . . 0.0 110.86 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.9 161.16 25.72 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -64.02 -34.83 78.9 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -174.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.1 m -56.63 -47.58 79.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.979 0.419 . . . . 0.0 110.314 172.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -61.81 -38.65 88.92 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.359 0.6 . . . . 0.0 110.207 177.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.403 ' O ' HG23 ' A' ' 45' ' ' VAL . 78.5 mt-30 -65.41 -39.07 91.71 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.993 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -66.09 -45.48 81.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.778 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -59.95 -36.47 77.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.517 176.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -62.51 -43.53 98.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.705 177.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 41' ' ' GLN . 92.2 t -66.23 -48.19 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.406 178.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.76 -37.97 77.42 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.014 178.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 30.1 tp -54.94 -50.4 68.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.567 176.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.1 mt -67.05 -27.77 67.66 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.026 -172.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -79.65 -14.21 58.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.618 0.247 . . . . 0.0 111.259 179.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.9 m -101.76 150.75 22.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.218 0.532 . . . . 0.0 111.955 -172.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -93.76 103.22 15.36 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 172.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 1.04 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . 53.1 m-20 -125.2 85.7 57.85 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -170.474 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -75.61 -35.6 2.65 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.872 2.382 . . . . 0.0 111.454 174.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -69.7 -32.11 70.5 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.199 0.523 . . . . 0.0 109.753 178.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 1.04 ' HB2' ' HB3' ' A' ' 52' ' ' ASP . 0.7 OUTLIER -70.09 -35.96 74.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.259 175.89 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -57.83 -30.59 65.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.339 0.59 . . . . 0.0 110.153 174.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.02 -21.92 65.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.165 176.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.486 ' HE1' ' HA ' ' A' ' 64' ' ' ARG . 14.3 m95 -78.0 -30.96 50.35 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.423 174.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.5 t -58.61 -34.84 52.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.377 175.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 23.3 ptm -96.8 -9.57 28.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.723 177.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.36 35.91 36.02 Favored Glycine 0 CA--C 1.52 0.349 0 CA-C-N 116.002 -0.545 . . . . 0.0 114.045 173.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -135.79 18.91 3.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 117.168 0.484 . . . . 0.0 111.728 -178.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -128.71 -178.97 15.63 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 119.913 -1.136 . . . . 0.0 113.079 -176.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.486 ' HA ' ' HE1' ' A' ' 58' ' ' TRP . 12.9 mmt180 -138.53 148.52 44.35 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 122.449 0.3 . . . . 0.0 110.256 176.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 96.9 m -135.0 159.43 41.54 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.329 -177.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -77.45 -36.47 52.97 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -174.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -111.7 113.67 26.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.502 0.668 . . . . 0.0 110.48 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.2 mt -71.93 -12.3 61.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.818 -176.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.63 -47.47 88.22 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.39 173.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.585 ' HB3' HD11 ' A' ' 55' ' ' LEU . 30.1 mt -66.1 -39.79 90.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.114 0.483 . . . . 0.0 110.499 176.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.59 -39.54 91.56 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.395 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.37 -44.18 97.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.113 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.517 ' O ' HG13 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -61.06 -47.08 88.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.598 177.873 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.747 HG21 HD23 ' A' ' 55' ' ' LEU . 97.3 t -64.83 -40.54 89.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.331 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -55.54 -42.46 74.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.281 0.562 . . . . 0.0 110.771 178.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -68.26 -34.46 76.25 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.737 178.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 73' ' ' MET . 68.7 mt -65.03 -43.78 96.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.976 0.417 . . . . 0.0 110.072 175.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 74' ' ' VAL . 88.3 t -59.91 -41.61 86.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.649 178.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.34 -36.95 74.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.083 177.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -72.59 -37.17 68.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.155 0.502 . . . . 0.0 110.597 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -67.11 -35.51 79.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.6 179.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.4 tt -54.21 -38.79 66.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.011 178.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.557 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 19.4 m -62.9 -42.25 99.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 177.261 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -63.04 -33.59 75.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.788 0.328 . . . . 0.0 110.975 178.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 58.5 t -75.16 -33.49 28.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.255 0.55 . . . . 0.0 110.639 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.496 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 27.0 ptt180 -83.46 -7.14 59.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.139 0.495 . . . . 0.0 110.292 179.13 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 83' ' ' SER . 56.0 mt -84.43 -77.6 0.26 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.286 174.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -109.47 108.1 18.48 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.705 0.261 . . . . 0.0 111.705 -174.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 41.1 m80 66.02 111.18 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.564 0.697 . . . . 0.0 111.62 177.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -89.44 98.54 11.82 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.54 -174.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -111.19 105.13 13.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.273 177.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -127.6 2.31 6.17 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 75.2 m80 60.72 80.9 0.2 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.154 -175.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 . . . . . 0 C--O 1.244 0.783 0 CA-C-O 118.618 -0.706 . . . . 0.0 109.726 -176.976 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ttt . . . . . 0 N--CA 1.478 0.957 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.416 ' HD2' ' HB3' ' A' ' 6' ' ' GLN . 55.9 m-85 -69.18 97.07 0.88 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.586 0.707 . . . . 0.0 110.046 171.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.6 p -104.68 -161.62 0.83 Allowed 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.561 -173.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.71 -39.81 65.54 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -175.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -61.04 -45.35 95.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.475 0.655 . . . . 0.0 110.078 178.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.423 ' HA ' ' HG2' ' A' ' 9' ' ' ARG . 13.4 mm100 -70.3 -32.16 69.81 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.973 -179.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.1 mttt -64.01 -33.71 76.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.712 0.291 . . . . 0.0 110.688 174.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.95 -36.85 84.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.869 0.366 . . . . 0.0 110.351 175.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.423 ' HG2' ' HA ' ' A' ' 6' ' ' GLN . 22.4 mmt180 -63.03 -39.11 93.78 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.454 0.645 . . . . 0.0 109.501 176.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 64.1 mt -64.57 -42.17 94.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.321 177.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -56.02 -36.98 68.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.027 178.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 19.0 m95 -64.26 -37.65 88.22 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.92 0.391 . . . . 0.0 111.187 176.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.97 -38.91 72.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.652 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 58.0 m -67.49 -42.19 83.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.054 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.418 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 28.3 ttt180 -85.04 31.01 0.56 Allowed 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.467 0.651 . . . . 0.0 110.39 178.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -61.57 -41.33 97.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.434 174.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 156.48 -27.73 0.55 Allowed Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.381 -176.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.4 tpt -78.44 68.15 4.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.486 0.66 . . . . 0.0 109.705 176.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.523 ' HA ' ' HB3' ' A' ' 22' ' ' ASP . 85.3 mt -64.77 -22.64 67.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.41 -176.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -56.75 -33.97 67.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.552 176.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.496 ' HA ' HG22 ' A' ' 24' ' ' VAL . 75.9 mt -96.04 -31.55 12.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.663 178.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.523 ' HB3' ' HA ' ' A' ' 19' ' ' LEU . 15.5 t70 -48.58 -44.73 37.12 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.186 0.517 . . . . 0.0 111.794 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.438 HG23 HG13 ' A' ' 24' ' ' VAL . 27.7 m -76.95 -11.17 13.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -176.171 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.496 HG22 ' HA ' ' A' ' 21' ' ' LEU . 33.1 m -116.14 -18.82 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -177.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 21' ' ' LEU . 69.2 mt -70.29 -39.92 77.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 O-C-N 122.13 -0.356 . . . . 0.0 111.209 -179.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.888 ' HE3' ' HA ' ' A' ' 26' ' ' MET . 19.1 mmt -54.91 -53.83 56.63 Favored Pre-proline 0 CA--C 1.538 0.512 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -174.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.403 ' HD2' ' N ' ' A' ' 26' ' ' MET . 18.7 Cg_endo -60.25 -43.99 31.43 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 121.798 1.665 . . . . 0.0 112.582 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.426 ' HD1' ' O ' ' A' ' 24' ' ' VAL . 55.9 m-85 -66.49 -39.44 88.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.826 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.476 ' HZ ' HE21 ' A' ' 41' ' ' GLN . 91.3 t80 -58.29 -48.45 80.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.509 177.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.81 -45.52 92.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.854 -177.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.488 ' HG3' ' N ' ' A' ' 32' ' ' CYS . 2.5 pt-20 -73.56 -45.34 53.95 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.958 -179.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.488 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 83.3 m -72.12 -32.34 66.86 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 122.431 -0.168 . . . . 0.0 111.246 -175.409 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -56.3 -33.38 65.49 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.025 0.44 . . . . 0.0 110.877 178.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -57.7 -26.06 61.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.973 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.2 p -109.68 -20.08 12.95 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.653 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.6 mt -96.45 118.72 33.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.832 0.349 . . . . 0.0 110.113 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.77 174.89 11.12 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.988 -174.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.26 -36.63 84.31 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -174.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.5 m -57.39 -38.89 75.0 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.258 0.551 . . . . 0.0 110.391 174.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -71.37 -45.72 62.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.887 177.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.476 HE21 ' HZ ' ' A' ' 29' ' ' PHE . 52.9 tt0 -57.18 -42.19 80.69 Favored 'General case' 0 N--CA 1.433 -1.286 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.637 178.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -57.86 -41.01 81.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.263 -177.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -69.28 -41.06 77.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.261 0.553 . . . . 0.0 109.863 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -63.89 -46.15 86.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.252 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 41' ' ' GLN . 85.0 t -61.79 -42.01 92.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.378 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.89 -34.41 67.87 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.331 177.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.414 HD21 HD13 ' A' ' 70' ' ' LEU . 56.4 tp -67.98 -44.53 76.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.037 177.241 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.0 mt -64.32 -22.07 66.83 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 112.08 -175.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -71.69 -18.64 62.16 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.162 0.506 . . . . 0.0 110.816 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.8 m -109.13 -162.76 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.556 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.23 164.88 24.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.02 0.438 . . . . 0.0 110.527 174.178 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -121.14 52.88 3.16 Favored Pre-proline 0 C--N 1.32 -0.707 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -175.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -78.64 -34.89 1.23 Allowed 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 121.424 1.416 . . . . 0.0 111.332 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.01 -46.35 89.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.591 177.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.408 ' O ' HG23 ' A' ' 59' ' ' VAL . 2.9 tt -66.19 -49.8 66.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.575 -179.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -58.21 -48.06 81.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.783 -178.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.22 -34.36 70.73 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -174.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 24.9 m95 -83.56 -27.52 29.23 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.366 -0.534 . . . . 0.0 112.186 -175.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.495 ' HA ' HG23 ' A' ' 78' ' ' VAL . 52.9 t -62.02 -41.93 92.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 121.037 0.446 . . . . 0.0 110.631 173.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 67.8 mtm -83.15 -20.42 34.77 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.226 176.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.31 51.08 4.05 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 121.022 -0.609 . . . . 0.0 113.09 174.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -162.96 91.72 0.74 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.658 -0.319 . . . . 0.0 110.395 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 160.01 176.48 32.14 Favored Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.019 178.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -107.6 167.61 9.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.94 0.4 . . . . 0.0 110.736 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 44.9 t -155.54 144.2 20.43 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 176.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -84.0 -37.72 21.84 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.086 0.47 . . . . 0.0 110.625 -177.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -102.17 105.39 16.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.548 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.7 mt -74.93 -19.53 60.09 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.919 -178.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.01 -42.63 99.74 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.558 174.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.603 ' O ' ' HG3' ' A' ' 73' ' ' MET . 85.9 mt -62.73 -47.93 81.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.079 0.466 . . . . 0.0 110.275 173.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.76 -31.35 68.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.09 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.466 ' O ' ' HG3' ' A' ' 76' ' ' LYS . . . -62.2 -45.33 93.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.21 179.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.603 ' HG3' ' O ' ' A' ' 70' ' ' LEU . 4.2 ppp? -74.03 -28.89 61.65 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.56 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.518 ' O ' HG22 ' A' ' 78' ' ' VAL . 86.9 t -67.21 -40.76 85.77 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 176.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -55.06 -38.28 67.84 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.968 177.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 72' ' ' ALA . 54.6 mttm -66.4 -34.2 77.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.573 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 71.6 mt -71.25 -42.53 74.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.911 174.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 74' ' ' VAL . 93.9 t -58.65 -34.42 51.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.918 179.055 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.9 -42.88 76.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.992 178.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.423 ' HB2' ' HE2' ' A' ' 28' ' ' PHE . 69.6 m-70 -66.38 -42.76 87.48 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 120.884 0.373 . . . . 0.0 110.52 177.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.471 ' O ' HG23 ' A' ' 85' ' ' VAL . 27.3 t-20 -63.59 -43.63 96.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.437 -179.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.2 tt -63.11 -39.84 95.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.857 178.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.0 t -63.68 -38.12 89.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.206 177.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.409 ' HE3' ' HB3' ' A' ' 84' ' ' LYS . 28.1 mtpp -58.62 -40.99 84.91 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.881 0.372 . . . . 0.0 110.353 174.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 81' ' ' ASN . 58.4 t -66.07 -42.48 91.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.835 -178.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -75.81 -24.97 55.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.023 0.439 . . . . 0.0 110.536 -179.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 64.0 tp -76.33 -45.45 32.17 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.44 178.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -70.62 -21.76 62.6 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.883 176.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.0 t60 63.26 41.8 7.54 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.387 165.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -95.59 58.09 1.97 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.856 0.36 . . . . 0.0 111.569 -174.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 65.94 4.83 3.16 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 168.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -85.43 97.05 9.79 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 119.985 -0.686 . . . . 0.0 110.73 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -101.65 -47.4 4.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.579 175.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.7 t60 . . . . . 0 C--O 1.249 1.071 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.83 -176.158 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.5 mtp . . . . . 0 N--CA 1.484 1.226 0 CA-C-O 120.933 0.397 . . . . 0.0 111.752 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.23 123.41 40.71 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 173.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.3 p -126.29 -170.36 2.18 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -171.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.21 -37.35 72.08 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -174.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -60.56 -44.13 96.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.231 0.538 . . . . 0.0 110.532 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.591 ' HA ' ' HD3' ' A' ' 9' ' ' ARG . 23.5 mp0 -66.59 -33.38 75.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.726 177.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.536 ' HA ' HD13 ' A' ' 10' ' ' ILE . 93.7 mttt -65.21 -34.84 79.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.666 0.269 . . . . 0.0 110.922 177.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.48 ' O ' ' HD1' ' A' ' 12' ' ' TRP . . . -62.24 -38.13 88.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.612 178.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.591 ' HD3' ' HA ' ' A' ' 6' ' ' GLN . 40.7 mtp180 -62.14 -37.83 86.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.94 177.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.65 HD12 ' HZ ' ' A' ' 29' ' ' PHE . 56.6 mt -66.03 -43.27 92.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.382 177.462 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -55.47 -35.37 65.44 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.698 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.548 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 15.8 m95 -58.95 -40.4 84.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.474 0.178 . . . . 0.0 111.354 177.401 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.19 -21.86 62.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.086 0.469 . . . . 0.0 111.155 -178.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 45.1 m -73.23 -22.14 60.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.808 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.548 ' HB2' ' O ' ' A' ' 12' ' ' TRP . 1.4 mpt_? -53.8 172.35 0.08 Allowed 'General case' 0 C--O 1.233 0.223 0 N-CA-C 113.515 0.932 . . . . 0.0 113.515 -174.233 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -64.74 118.83 9.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.787 -1.097 . . . . 0.0 111.534 -171.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -165.35 -48.82 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.751 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.426 178.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.662 ' HG2' ' HG ' ' A' ' 21' ' ' LEU . 23.4 tpp -144.78 95.45 2.7 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.4 mt -66.97 -26.25 66.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.116 0.484 . . . . 0.0 110.884 -177.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -62.86 -31.09 72.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.023 178.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.662 ' HG ' ' HG2' ' A' ' 18' ' ' MET . 86.7 mt -92.18 -19.19 22.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.893 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -55.86 -45.81 78.39 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.313 -178.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.2 m -81.11 -10.58 12.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.077 -176.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 52.6 t -98.82 -46.59 12.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 120.763 0.316 . . . . 0.0 110.92 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 75.7 mt -84.03 -52.01 13.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.872 -174.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.662 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 53.1 ttp -57.82 -53.64 63.67 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -172.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.662 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 32.3 Cg_exo -60.34 -36.85 85.78 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 121.864 1.709 . . . . 0.0 111.994 179.026 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -65.66 -42.92 90.77 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.911 0.386 . . . . 0.0 110.188 177.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.65 ' HZ ' HD12 ' A' ' 10' ' ' ILE . 87.9 t80 -57.12 -48.9 77.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.262 178.209 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 26' ' ' MET . 9.1 mt-10 -61.86 -35.25 77.76 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.016 0.436 . . . . 0.0 111.131 -179.39 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -68.12 -52.39 35.4 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.723 176.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.5 t -82.51 -26.98 32.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.127 -169.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -53.34 -35.58 60.37 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 122.776 0.43 . . . . 0.0 111.203 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -61.62 -34.64 76.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.731 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.2 t -88.24 -40.87 13.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.055 -177.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 71.3 mt -64.68 136.19 56.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.545 -175.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.513 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 36.3 p -81.71 164.82 21.49 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 170.682 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -50.9 -41.4 58.45 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -175.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.0 m -60.52 -45.25 94.52 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.616 0.246 . . . . 0.0 111.576 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -66.22 -40.15 90.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.59 0.709 . . . . 0.0 109.739 177.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.531 ' O ' HG21 ' A' ' 45' ' ' VAL . 96.3 mt-30 -61.7 -44.22 97.34 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.711 178.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -64.16 -44.54 91.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.607 -174.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.3 -39.81 88.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.024 0.44 . . . . 0.0 110.657 176.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.458 ' CE1' HD13 ' A' ' 77' ' ' ILE . 45.5 t80 -68.02 -40.84 82.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.495 178.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.531 HG21 ' O ' ' A' ' 41' ' ' GLN . 85.9 t -64.08 -39.25 84.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-O 120.715 0.293 . . . . 0.0 110.601 177.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.24 -36.0 72.55 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.508 176.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.694 HD22 HD11 ' A' ' 70' ' ' LEU . 78.6 mt -67.19 -39.23 86.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.972 175.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.5 mt -71.0 -37.66 72.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.174 -175.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -83.27 -14.1 53.82 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.845 0.355 . . . . 0.0 111.195 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.4 t -84.17 -169.79 2.77 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 176.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.581 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 7.5 t70 -84.94 166.93 16.38 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 175.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.512 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 11.7 p-10 -119.8 53.12 2.42 Favored Pre-proline 0 CA--C 1.541 0.601 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -174.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.581 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 6.2 Cg_endo -86.64 -55.32 0.02 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 121.605 1.537 . . . . 0.0 111.321 176.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -69.96 -32.74 71.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.371 176.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.4 tt -66.13 -49.9 65.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.707 178.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.406 ' HB2' ' O ' ' A' ' 52' ' ' ASP . 41.6 t80 -61.13 -33.01 72.7 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.124 0.488 . . . . 0.0 110.427 178.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.868 ' HB3' ' HA3' ' A' ' 63' ' ' GLY . . . -62.37 -37.41 85.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.746 -177.411 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 29.6 m95 -78.52 -31.63 47.68 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.047 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.521 ' HA ' HG22 ' A' ' 78' ' ' VAL . 81.5 t -62.84 -40.1 87.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.934 0.397 . . . . 0.0 110.692 177.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 24.3 mmt -90.96 -11.2 39.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.247 178.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.08 34.47 70.36 Favored Glycine 0 C--O 1.227 -0.285 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.687 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -126.34 24.57 6.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.155 0.503 . . . . 0.0 110.109 -173.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.868 ' HA3' ' HB3' ' A' ' 57' ' ' ALA . . . -165.28 179.41 39.78 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.396 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 44.2 mtm180 -140.19 172.2 13.08 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 122.35 0.26 . . . . 0.0 110.395 -178.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.625 ' SG ' ' HB2' ' A' ' 71' ' ' ALA . 25.7 p -142.04 171.49 13.98 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 173.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -85.64 -34.32 21.38 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -173.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -111.33 118.14 35.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.502 0.668 . . . . 0.0 111.309 -177.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.475 ' HA ' ' HB1' ' A' ' 71' ' ' ALA . 54.2 mt -75.0 -14.57 60.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.063 -175.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.79 -47.13 91.47 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.439 -0.886 . . . . 0.0 111.293 175.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.694 HD11 HD22 ' A' ' 47' ' ' LEU . 15.7 mt -71.25 -35.87 71.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.879 0.371 . . . . 0.0 110.415 174.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.625 ' HB2' ' SG ' ' A' ' 65' ' ' CYS . . . -60.64 -38.94 86.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.368 179.097 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.461 ' O ' ' HG3' ' A' ' 76' ' ' LYS . . . -58.8 -37.01 75.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 90.7 mmm -64.83 -44.55 89.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.381 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.48 ' O ' HG21 ' A' ' 78' ' ' VAL . 21.7 t -68.94 -37.1 76.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.611 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -58.92 -40.29 84.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.647 177.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' A' ' 72' ' ' ALA . 44.5 mtpt -64.92 -34.24 77.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.536 177.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.458 HD13 ' CE1' ' A' ' 44' ' ' PHE . 60.6 mt -61.58 -45.72 98.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 173.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.521 HG22 ' HA ' ' A' ' 59' ' ' VAL . 45.2 t -60.81 -41.1 87.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.851 179.334 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.13 -36.67 80.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.019 0.438 . . . . 0.0 110.749 178.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 -63.72 -42.18 97.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.05 176.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.695 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 52.8 t30 -69.93 -47.08 63.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.777 178.31 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 73.3 mt -57.03 -31.19 64.89 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.339 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.61 ' HA ' ' HG2' ' A' ' 86' ' ' ARG . 67.8 m -67.26 -42.98 83.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.489 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.695 ' HG2' ' O ' ' A' ' 81' ' ' ASN . 11.9 ptmm? -70.99 -26.76 63.28 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.373 -0.531 . . . . 0.0 109.838 177.149 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 81' ' ' ASN . 70.9 t -72.17 -43.2 66.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.926 177.04 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.61 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 25.5 ptt85 -76.19 -17.23 59.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.265 0.555 . . . . 0.0 110.492 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.464 HD21 ' HG3' ' A' ' 88' ' ' GLU . 1.7 tt -72.32 -58.82 3.1 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.493 179.055 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.464 ' HG3' HD21 ' A' ' 87' ' ' LEU . 47.4 mt-10 -129.75 -78.42 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.779 0.323 . . . . 0.0 111.516 -178.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -73.96 96.7 2.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.914 -173.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -80.11 87.46 5.47 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.917 178.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 -125.65 136.01 52.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.601 -178.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 66.56 95.92 0.06 Allowed 'General case' 0 C--N 1.33 -0.242 0 O-C-N 124.108 0.88 . . . . 0.0 111.114 -177.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -97.91 -48.26 5.24 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 174.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 8.7 p80 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 119.004 -0.522 . . . . 0.0 109.746 175.584 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.3 mmt . . . . . 0 N--CA 1.487 1.393 0 N-CA-C 111.66 0.245 . . . . 0.0 111.66 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -132.77 107.09 8.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.187 0.517 . . . . 0.0 110.719 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.1 p -94.27 -168.51 1.87 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.963 177.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.76 -39.23 76.93 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.915 -178.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -60.6 -42.18 96.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.366 0.603 . . . . 0.0 111.066 -178.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.65 -47.61 77.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.253 -176.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -67.89 -30.47 69.83 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.165 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.46 ' O ' ' HB3' ' A' ' 11' ' ' LYS . . . -62.17 -42.78 99.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.069 177.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.6 mtm-85 -66.6 -32.91 74.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.968 0.413 . . . . 0.0 110.892 176.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.5 mt -65.55 -42.62 93.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.001 173.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.46 ' HB3' ' O ' ' A' ' 8' ' ' ALA . 23.6 tptm -54.43 -36.27 63.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.358 176.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -66.41 -22.64 66.23 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.764 0.316 . . . . 0.0 111.473 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.45 28.29 4.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.952 0.406 . . . . 0.0 110.749 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 p -59.94 -24.8 64.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.382 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.19 122.87 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.536 0.684 . . . . 0.0 111.943 175.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.487 ' H ' ' HD2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -93.89 128.66 40.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.153 175.029 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 176.09 -51.4 0.12 Allowed Glycine 0 N--CA 1.443 -0.842 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 92.8 mmm -130.85 117.76 19.79 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 176.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.428 ' O ' HG21 ' A' ' 23' ' ' VAL . 86.9 mt -59.8 -32.25 70.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.881 0.372 . . . . 0.0 110.975 -177.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -70.44 -34.93 73.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.217 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.6 mt -72.0 -32.04 66.82 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.022 0.439 . . . . 0.0 110.284 178.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -60.78 -32.4 71.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.557 175.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.428 HG21 ' O ' ' A' ' 19' ' ' LEU . 47.1 t -75.52 -27.3 18.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.861 178.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.523 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 98.9 t -67.35 -48.71 76.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.762 -176.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 58.4 mt -58.26 -37.56 63.63 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -173.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.705 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 50.7 ttp -58.36 -54.54 54.88 Favored Pre-proline 0 CA--C 1.543 0.689 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -170.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.705 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 3.0 Cg_endo -87.8 -31.47 0.21 Allowed 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.137 1.891 . . . . 0.0 113.12 178.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.402 ' CD2' HG22 ' A' ' 77' ' ' ILE . 16.8 m-85 -67.06 -35.57 80.12 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 121.29 -0.164 . . . . 0.0 111.404 -175.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.503 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 67.6 t80 -59.15 -48.36 81.88 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.855 0.359 . . . . 0.0 110.345 176.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -54.93 -39.79 69.21 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.555 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -71.04 -51.9 22.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.202 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.535 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 24.2 p -73.9 -29.47 62.07 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -173.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -52.25 -36.01 51.39 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.02 0.438 . . . . 0.0 110.988 178.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -61.07 -26.62 67.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.065 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.3 p -119.84 10.9 11.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.958 0.408 . . . . 0.0 111.551 -178.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 48.7 mt -95.18 -174.04 3.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.139 0.495 . . . . 0.0 110.959 176.209 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.9 m -146.46 166.97 24.82 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 177.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -58.74 -42.09 87.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.754 0.311 . . . . 0.0 110.553 -177.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.3 p -56.33 -49.9 73.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.002 175.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -65.6 -35.44 80.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.388 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.425 ' O ' HG21 ' A' ' 45' ' ' VAL . 38.4 mt-30 -66.29 -28.22 68.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.083 179.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -67.66 -45.91 73.9 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 174.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -64.94 -35.84 82.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.649 176.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.525 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 74.4 t80 -61.42 -50.07 74.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.69 178.124 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.425 HG21 ' O ' ' A' ' 41' ' ' GLN . 85.7 t -66.36 -37.94 80.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.947 0.404 . . . . 0.0 110.4 179.127 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.66 -45.06 95.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 177.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 31.2 tp -66.61 -36.42 82.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.234 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 44' ' ' PHE . 79.1 mt -62.63 -33.15 74.44 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.907 0.384 . . . . 0.0 111.567 -179.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -85.49 -13.33 49.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.794 0.331 . . . . 0.0 111.138 178.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.6 m -89.92 172.1 9.11 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.631 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.568 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 37.5 t0 -72.48 156.96 38.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.172 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.526 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 7.5 p-10 -119.92 52.14 2.15 Favored Pre-proline 0 CA--C 1.542 0.671 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -171.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.568 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 2.2 Cg_endo -82.97 -55.68 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 121.783 1.655 . . . . 0.0 111.56 177.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.418 ' O ' ' HD1' ' A' ' 58' ' ' TRP . 11.9 p-10 -69.6 -32.47 71.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.566 176.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.472 ' O ' HG23 ' A' ' 59' ' ' VAL . 8.3 tt -58.3 -49.74 76.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.888 176.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -59.71 -35.23 74.1 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.813 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.499 ' HB1' ' HA3' ' A' ' 63' ' ' GLY . . . -74.85 -30.76 61.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.98 -176.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.418 ' HD1' ' O ' ' A' ' 54' ' ' ASP . 21.1 m95 -78.77 -28.46 44.77 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.438 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 55' ' ' LEU . 89.0 t -65.4 -32.35 57.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.97 0.414 . . . . 0.0 110.536 177.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 20.0 ptp -94.86 -15.0 24.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.482 175.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.8 51.7 8.99 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.142 -0.551 . . . . 0.0 112.043 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -142.54 20.58 2.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.221 0.534 . . . . 0.0 109.965 -177.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.499 ' HA3' ' HB1' ' A' ' 57' ' ' ALA . . . -134.04 -171.92 12.72 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.263 -0.97 . . . . 0.0 113.039 -174.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.36 149.39 39.33 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -178.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 12.8 t -138.03 156.76 47.48 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 177.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -72.27 -41.31 66.86 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -173.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -116.45 137.1 52.43 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.314 -0.555 . . . . 0.0 110.52 -179.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.9 mt -76.64 -13.83 60.02 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.672 178.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.91 -48.38 82.73 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.358 178.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.402 ' O ' HG22 ' A' ' 74' ' ' VAL . 44.8 mt -67.67 -36.32 80.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.134 0.492 . . . . 0.0 110.372 176.367 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.5 -26.79 64.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.712 -0.677 . . . . 0.0 112.034 -178.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.44 -44.55 92.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.612 -177.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.495 ' HE3' ' HA ' ' A' ' 44' ' ' PHE . 27.0 ptt? -73.53 -28.91 62.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.791 0.329 . . . . 0.0 110.782 178.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.402 HG22 ' O ' ' A' ' 70' ' ' LEU . 60.4 t -66.34 -36.61 77.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.862 0.363 . . . . 0.0 110.057 177.44 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -55.1 -41.76 72.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.885 176.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -63.11 -38.87 92.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.299 0.571 . . . . 0.0 110.041 178.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.402 HG22 ' CD2' ' A' ' 28' ' ' PHE . 76.0 mt -64.86 -48.36 84.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.398 178.044 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 65.4 t -61.04 -38.37 79.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.072 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.1 -45.2 91.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.915 0.388 . . . . 0.0 111.352 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -71.89 -36.32 70.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.035 0.445 . . . . 0.0 110.348 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.401 ' O ' HG21 ' A' ' 85' ' ' VAL . 51.5 t30 -64.36 -43.82 93.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.016 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.432 ' O ' HD23 ' A' ' 82' ' ' LEU . 5.0 tt -57.43 -34.88 69.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.986 0.422 . . . . 0.0 109.882 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.536 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 46.6 t -63.57 -51.58 64.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.21 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 15.4 ptmm? -68.16 -22.84 64.83 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.972 0.415 . . . . 0.0 110.816 -177.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.401 HG21 ' O ' ' A' ' 81' ' ' ASN . 98.3 t -79.73 -32.31 14.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.446 177.064 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.409 ' HG2' ' O ' ' A' ' 83' ' ' SER . 7.0 ptt180 -80.3 -27.07 38.56 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.811 0.338 . . . . 0.0 110.477 -179.044 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 83' ' ' SER . 87.9 mt -69.55 -42.93 73.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.519 178.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -90.28 -176.86 4.95 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.74 174.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -94.0 76.3 4.13 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.676 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.45 ' O ' ' HB2' ' A' ' 91' ' ' HIS . 1.6 t60 49.92 -89.02 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 114.508 -1.224 . . . . 0.0 113.392 170.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.45 ' HB2' ' O ' ' A' ' 90' ' ' HIS . 88.1 m-70 71.06 161.36 0.23 Allowed 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.584 0.754 . . . . 0.0 110.561 -170.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 67.6 m80 64.64 72.74 0.44 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.39 0.614 . . . . 0.0 109.584 -174.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -97.85 -14.41 20.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.192 -174.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.8 t60 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.717 -0.659 . . . . 0.0 109.836 179.089 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.4 ttm . . . . . 0 N--CA 1.476 0.849 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.643 ' HD1' ' HG2' ' A' ' 6' ' ' GLN . 88.5 m-85 -123.65 125.11 44.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.846 0.355 . . . . 0.0 111.06 -177.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.8 p -81.43 178.93 8.07 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.376 177.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.87 -45.64 82.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.792 0.329 . . . . 0.0 111.66 -176.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -67.42 -42.82 82.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.266 0.555 . . . . 0.0 110.572 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.643 ' HG2' ' HD1' ' A' ' 2' ' ' TYR . 25.3 tt0 -70.05 -39.0 75.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.508 -175.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -31.91 71.59 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.967 0.413 . . . . 0.0 110.158 177.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.615 ' O ' ' HG3' ' A' ' 11' ' ' LYS . . . -59.71 -35.75 75.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.899 177.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 -61.77 -30.83 71.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.226 0.536 . . . . 0.0 109.744 178.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 63.5 mt -73.18 -44.7 55.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.15 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.658 ' HA ' ' SG ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -66.5 -34.78 78.7 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.464 -178.582 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.407 ' HD1' ' O ' ' A' ' 8' ' ' ALA . 14.2 m95 -59.69 -39.07 83.32 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.857 0.36 . . . . 0.0 110.606 172.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.33 -40.93 42.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.597 -175.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.762 ' HB3' HD12 ' A' ' 48' ' ' LEU . 29.0 p -66.81 -28.38 68.32 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -175.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -92.81 80.13 4.69 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.43 0.633 . . . . 0.0 110.773 -178.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -139.05 165.85 26.04 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.484 174.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.66 -61.49 3.82 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.777 -0.725 . . . . 0.0 111.944 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.434 ' HE3' ' HG ' ' A' ' 21' ' ' LEU . 23.4 ptt? -156.32 139.36 15.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.057 0.456 . . . . 0.0 111.055 179.366 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.6 mt -69.61 -20.39 63.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.815 -178.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -58.85 -20.95 55.46 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.434 ' HG ' ' HE3' ' A' ' 18' ' ' MET . 31.0 mt -84.75 -14.88 46.92 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.384 178.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -57.14 -41.43 79.11 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.017 0.437 . . . . 0.0 110.731 -179.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.1 t -64.51 -33.07 60.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.837 -176.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.5 m -103.16 8.49 9.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.939 0.399 . . . . 0.0 111.855 -174.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 39.7 mm -119.06 -53.61 3.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 121.026 -0.27 . . . . 0.0 111.386 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.447 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 24.7 ttt -55.04 -54.67 47.62 Favored Pre-proline 0 CA--C 1.54 0.561 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -170.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.447 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 60.8 Cg_endo -73.76 -34.84 5.01 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 121.423 1.415 . . . . 0.0 112.808 -176.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.423 ' CE1' ' HB3' ' A' ' 80' ' ' HIS . 22.2 m-30 -70.35 -36.47 74.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.477 -179.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -56.84 -41.05 77.21 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.586 176.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 26' ' ' MET . 23.0 mt-10 -56.82 -42.76 80.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.27 0.557 . . . . 0.0 110.455 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -74.65 -50.43 17.74 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.44 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.561 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 74.0 m -61.17 -47.51 85.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.394 -176.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.418 ' HD1' ' NE2' ' A' ' 41' ' ' GLN . 93.6 t80 -58.99 -35.19 72.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.046 0.451 . . . . 0.0 111.063 -178.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -65.28 -28.21 69.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.444 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.9 m -110.89 -26.09 9.5 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -172.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 62.2 mt -80.35 165.61 22.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.21 0.528 . . . . 0.0 111.284 -175.139 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 33.4 p -102.66 162.77 12.66 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.594 177.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -60.1 -36.2 76.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.675 0.274 . . . . 0.0 111.63 -176.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.1 m -56.93 -44.56 82.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 175.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -71.34 -34.56 70.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.067 177.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.423 ' O ' HG22 ' A' ' 45' ' ' VAL . 14.0 mm100 -65.19 -31.6 72.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.224 178.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -60.2 -45.68 92.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.089 0.471 . . . . 0.0 109.769 175.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.7 -41.84 87.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.687 175.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.542 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 72.7 t80 -62.61 -46.18 89.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.266 -178.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 41' ' ' GLN . 89.7 t -65.48 -38.34 82.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 178.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.87 -38.29 72.54 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.176 0.513 . . . . 0.0 110.561 175.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.9 -43.33 88.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.918 177.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.762 HD12 ' HB3' ' A' ' 14' ' ' CYS . 68.4 mt -66.98 -30.03 70.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.509 -176.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -80.85 -13.63 58.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.196 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.9 m -95.73 175.13 6.64 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.139 0.495 . . . . 0.0 111.668 -175.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.516 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 25.4 t70 -80.34 159.45 25.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.046 174.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.5 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 7.9 p-10 -117.54 52.12 1.24 Allowed Pre-proline 0 CA--C 1.546 0.794 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -169.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.516 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 2.2 Cg_endo -83.95 -55.0 0.03 OUTLIER 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 121.702 1.601 . . . . 0.0 110.834 174.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -62.3 -36.7 82.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.82 176.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.424 ' O ' HG21 ' A' ' 59' ' ' VAL . 6.4 tt -63.34 -50.33 70.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.908 -179.123 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -61.37 -35.15 76.66 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.089 0.471 . . . . 0.0 110.671 178.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.74 -32.48 74.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.512 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -79.37 -28.07 41.95 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.187 -0.205 . . . . 0.0 111.519 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.424 HG21 ' O ' ' A' ' 55' ' ' LEU . 72.8 t -60.94 -39.57 82.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.197 0.523 . . . . 0.0 109.761 173.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.6 mmt -83.15 -22.13 33.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.112 176.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.31 48.76 6.21 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.423 177.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -142.31 27.23 1.75 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.14 0.495 . . . . 0.0 110.574 -178.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -128.91 -179.27 15.83 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.69 -177.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -127.96 164.0 23.28 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 178.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 52.9 m -144.41 136.34 26.06 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.989 174.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -70.88 -34.6 71.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.619 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.5 ' ND2' ' HG ' ' A' ' 70' ' ' LEU . 16.1 p-10 -121.41 114.94 22.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.274 0.559 . . . . 0.0 109.803 175.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 76.7 mt -70.07 -14.84 62.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.391 -176.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.08 -35.81 71.35 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.186 176.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.5 ' HG ' ' ND2' ' A' ' 67' ' ' ASN . 42.2 mt -71.28 -39.67 71.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.328 0.585 . . . . 0.0 110.69 176.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.21 -23.98 63.96 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.558 -177.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.7 -42.39 79.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.574 -179.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -72.82 -36.42 67.52 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.888 178.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 49.7 t -62.97 -37.76 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.064 0.459 . . . . 0.0 109.976 178.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -54.62 -45.8 73.78 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.821 177.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -66.45 -34.77 78.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.952 -177.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 74.2 mt -65.65 -51.12 66.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.147 176.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.4 t -62.4 -42.58 96.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.076 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.55 -36.24 75.79 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.795 0.331 . . . . 0.0 111.153 179.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.423 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 14.3 m80 -71.97 -38.11 69.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.017 0.437 . . . . 0.0 111.489 177.383 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.48 ' O ' HG21 ' A' ' 85' ' ' VAL . 10.6 t30 -67.72 -36.46 80.64 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.076 0.465 . . . . 0.0 109.981 178.089 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.5 tp -58.36 -45.31 88.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.091 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.481 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 15.7 p -70.75 -38.94 73.55 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.901 -175.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.504 ' HZ2' ' HB2' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -67.58 -29.56 68.94 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.369 178.257 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.48 HG21 ' O ' ' A' ' 81' ' ' ASN . 59.1 t -72.56 -36.31 53.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.871 177.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 83' ' ' SER . 12.2 ptt180 -73.59 -19.66 60.81 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.017 0.437 . . . . 0.0 110.235 179.438 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 54.5 tp -84.94 -52.34 6.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.822 177.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -77.6 -23.86 49.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.913 0.387 . . . . 0.0 111.479 -176.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -135.55 -149.1 0.32 Allowed 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 178.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -127.5 110.74 13.05 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.306 -178.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -152.2 136.53 16.71 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -96.54 -177.77 4.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.608 0.242 . . . . 0.0 110.91 179.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -159.6 161.26 35.06 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.003 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 4.4 t60 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.702 -0.666 . . . . 0.0 109.506 -179.888 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.483 1.178 0 CA-C-O 120.639 0.257 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.668 ' HH ' ' HB3' ' A' ' 41' ' ' GLN . 4.0 m-85 -128.11 132.81 48.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.241 0.543 . . . . 0.0 111.644 178.658 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 45.2 p -119.21 174.01 6.59 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.859 177.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.98 -35.1 79.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.191 0.519 . . . . 0.0 109.895 175.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -61.44 -44.05 97.8 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.053 175.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -62.1 -44.87 95.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.556 178.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.439 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 82.6 mttt -59.15 -37.87 78.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.859 176.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.2 -42.97 99.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.104 -177.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -61.68 -39.83 92.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.176 0.512 . . . . 0.0 110.216 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.9 mt -69.49 -42.44 80.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.584 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.617 ' HA ' ' SG ' ' A' ' 14' ' ' CYS . 99.5 mttt -58.49 -35.96 73.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.329 176.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.0 m95 -65.59 -31.94 73.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.833 0.349 . . . . 0.0 111.108 176.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.65 -6.39 59.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.593 -178.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.617 ' SG ' ' HA ' ' A' ' 11' ' ' LYS . 71.0 m -66.37 -38.27 87.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.873 0.368 . . . . 0.0 110.812 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -84.72 78.44 9.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.913 0.387 . . . . 0.0 110.677 176.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.1 tpt180 -76.58 -33.74 58.46 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.1 177.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 169.15 -46.69 0.22 Allowed Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.505 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.1 tpt -65.6 102.6 0.74 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.927 0.394 . . . . 0.0 110.191 177.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.7 mt -67.66 -29.86 69.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.416 -174.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -66.46 -20.45 66.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.844 0.354 . . . . 0.0 110.939 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.7 mt -89.33 -7.01 56.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.448 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -62.97 -40.89 99.09 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.289 0.566 . . . . 0.0 110.532 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.6 t -78.8 -10.55 12.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.404 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.505 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 57.4 t -97.84 -61.8 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.352 -177.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 66.8 mt -60.13 -40.53 83.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -172.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.776 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 25.3 ttt -61.03 -54.8 50.71 Favored Pre-proline 0 CA--C 1.54 0.569 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -174.145 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.776 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 12.4 Cg_exo -72.11 -37.1 5.01 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 121.817 1.678 . . . . 0.0 112.235 177.081 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -62.34 -34.27 76.33 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.144 178.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.425 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 32.5 t80 -55.75 -47.77 76.41 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 174.072 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -65.21 -34.84 79.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.056 0.455 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 27' ' ' PRO . 72.4 mt-10 -67.91 -49.21 63.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.474 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.541 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 24.0 p -73.57 -36.26 65.56 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.294 -0.162 . . . . 0.0 111.161 -178.072 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -52.28 -36.47 52.93 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.354 0.597 . . . . 0.0 110.516 175.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -68.72 -19.76 64.37 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.891 -178.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.2 m -117.44 -5.48 11.24 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -171.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 79.7 mt -110.47 -179.95 3.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.83 0.348 . . . . 0.0 111.083 -175.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.73 -179.0 5.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.24 174.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.442 ' HA ' HE21 ' A' ' 41' ' ' GLN . 5.5 mm-40 -51.63 -43.7 62.7 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 122.977 0.511 . . . . 0.0 112.026 -171.389 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.6 p -55.8 -51.04 68.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.589 -178.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -71.23 -43.52 67.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.29 0.567 . . . . 0.0 110.162 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.668 ' HB3' ' HH ' ' A' ' 2' ' ' TYR . 22.8 mt-30 -58.2 -40.57 81.92 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.848 -178.233 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -66.57 -43.21 85.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.112 0.482 . . . . 0.0 110.451 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -65.39 -35.5 81.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.967 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.534 ' HA ' ' HE3' ' A' ' 73' ' ' MET . 80.4 t80 -64.96 -49.71 69.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.022 177.339 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.471 HG21 ' O ' ' A' ' 41' ' ' GLN . 89.8 t -61.35 -44.28 98.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.849 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.8 -39.44 81.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.511 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.685 HD22 HD21 ' A' ' 70' ' ' LEU . 42.1 tp -67.26 -36.83 82.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.907 -179.153 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 44' ' ' PHE . 93.0 mt -64.04 -22.3 66.87 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.59 -177.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -78.0 -13.1 60.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.725 0.298 . . . . 0.0 111.177 179.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.4 m -99.32 170.62 8.52 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.696 -179.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.513 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 27.3 t70 -67.94 159.65 30.15 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 174.192 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.509 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 12.3 p-10 -118.88 52.46 1.72 Allowed Pre-proline 0 CA--C 1.544 0.721 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 -170.041 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.513 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 9.3 Cg_endo -86.2 -51.43 0.03 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 121.855 1.703 . . . . 0.0 110.98 174.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.43 ' OD1' ' HD2' ' A' ' 53' ' ' PRO . 18.4 p-10 -70.08 -32.84 71.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.023 176.145 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.464 ' O ' HG22 ' A' ' 59' ' ' VAL . 7.1 tt -60.23 -50.4 73.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.437 175.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -63.73 -33.3 75.33 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.335 178.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.545 ' HB2' ' HA3' ' A' ' 63' ' ' GLY . . . -59.96 -45.82 91.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.741 -178.14 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -74.18 -28.76 61.44 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.386 -178.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 55' ' ' LEU . 95.6 t -66.64 -45.0 89.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-O 120.733 0.302 . . . . 0.0 110.523 175.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.5 ptm -78.29 -18.46 55.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.198 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.28 39.42 8.43 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.366 178.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -153.41 88.74 1.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.545 ' HA3' ' HB2' ' A' ' 57' ' ' ALA . . . 166.89 -174.44 42.23 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.148 -1.025 . . . . 0.0 113.275 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -140.44 170.52 15.66 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 122.752 0.421 . . . . 0.0 110.184 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 46.5 t -158.24 160.48 37.16 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -85.01 -33.96 22.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.743 -176.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -119.09 121.21 39.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.932 0.396 . . . . 0.0 110.408 -175.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 63.8 mt -75.34 -13.64 60.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.927 -177.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.96 -37.55 91.48 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.751 176.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.685 HD21 HD22 ' A' ' 47' ' ' LEU . 59.8 mt -68.07 -35.68 78.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.165 0.507 . . . . 0.0 110.682 175.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.45 -31.74 70.24 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.794 -178.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.8 -44.05 81.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.623 -177.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.534 ' HE3' ' HA ' ' A' ' 44' ' ' PHE . 27.1 ptt? -73.77 -28.36 61.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.657 0.265 . . . . 0.0 110.858 -179.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 70' ' ' LEU . 89.5 t -62.97 -38.48 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.117 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.456 178.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -54.75 -41.74 70.79 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.9 177.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.4 mmtt -69.0 -39.44 79.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.46 -178.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 44.9 mm -62.93 -51.01 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.375 177.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 95.5 t -61.54 -42.7 95.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.047 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.77 -46.06 90.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.863 0.363 . . . . 0.0 111.226 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.44 -35.7 71.01 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.034 0.445 . . . . 0.0 110.439 -178.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.545 ' O ' HG22 ' A' ' 85' ' ' VAL . 64.3 t30 -69.63 -36.03 75.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.435 179.072 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 tt -54.08 -40.56 67.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.675 -172.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.1 p -66.92 -48.03 69.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.818 0.342 . . . . 0.0 111.552 -175.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -69.42 -24.19 63.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.791 -179.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.545 HG22 ' O ' ' A' ' 81' ' ' ASN . 85.7 t -74.69 -54.62 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.08 0.467 . . . . 0.0 110.776 176.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -70.39 -10.23 58.5 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.065 -175.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 38.9 tp -60.37 -42.48 95.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.325 175.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 56.05 91.09 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.825 -178.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 28.4 t-80 -133.61 137.19 45.32 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 176.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -65.02 108.54 1.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.3 0.572 . . . . 0.0 110.873 -178.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -143.19 -31.14 0.5 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.936 -177.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 63.6 t-80 -171.19 -60.84 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.133 178.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.414 ' CD2' ' H ' ' A' ' 94' ' ' HIS . 9.0 t60 54.35 -128.14 2.28 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -175.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.414 ' H ' ' CD2' ' A' ' 93' ' ' HIS . 29.7 m-70 . . . . . 0 C--O 1.245 0.827 0 CA-C-O 118.201 -0.904 . . . . 0.0 109.09 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.403 ' H3 ' ' CD ' ' A' ' 38' ' ' GLU . 26.1 ttt . . . . . 0 N--CA 1.477 0.902 0 CA-C-O 120.892 0.377 . . . . 0.0 110.094 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.505 ' CE2' ' HB3' ' A' ' 6' ' ' GLN . 0.5 OUTLIER -110.0 113.83 26.86 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.719 -177.161 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.45 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 67.8 p -72.22 169.08 16.9 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.865 -171.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.47 -31.22 72.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.727 178.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -64.21 -41.58 96.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.859 175.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.505 ' HB3' ' CE2' ' A' ' 2' ' ' TYR . 15.9 mm100 -70.07 -30.19 67.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.422 177.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 3' ' ' THR . 35.2 mmtm -56.79 -39.05 73.4 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.078 0.465 . . . . 0.0 110.397 176.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.46 -36.39 80.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.937 179.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -61.21 -35.36 76.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.659 -178.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.8 mt -71.16 -47.57 60.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.5 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.85 -38.43 90.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.576 -177.284 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -71.79 -22.28 61.6 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -99.31 -20.01 16.75 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.513 0.561 . . . . 0.0 112.513 -175.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.8 p -73.3 -26.81 61.22 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.832 0.348 . . . . 0.0 111.473 -176.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.68 166.82 20.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.975 177.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 16' ' ' ARG . 0.1 OUTLIER 75.38 154.8 0.16 Allowed 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.941 0.776 . . . . 0.0 110.831 -177.045 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.402 ' N ' ' HG3' ' A' ' 16' ' ' ARG . . . 91.73 -65.79 2.33 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 110.556 -1.017 . . . . 0.0 110.556 -178.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.609 ' HA ' ' HE2' ' A' ' 18' ' ' MET . 0.0 OUTLIER -144.37 95.59 2.74 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 174.377 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.5 mt -60.84 -29.56 69.58 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -172.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -66.63 -29.8 69.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.727 0.299 . . . . 0.0 111.183 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.562 ' O ' HG12 ' A' ' 25' ' ' ILE . 76.5 mt -72.15 -33.62 67.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.108 -178.42 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -51.15 -37.26 45.24 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.041 0.448 . . . . 0.0 111.49 -179.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 36.0 t -61.74 -31.87 52.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.676 -177.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.411 ' C ' ' HD2' ' A' ' 27' ' ' PRO . 27.0 m -105.9 -24.32 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -176.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.562 HG12 ' O ' ' A' ' 21' ' ' LEU . 29.1 mm -59.25 -47.24 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 N-CA-C 111.536 0.199 . . . . 0.0 111.536 -178.098 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.635 ' HB2' ' HD3' ' A' ' 27' ' ' PRO . 79.1 mtp -61.28 -52.57 69.98 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -178.125 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.635 ' HD3' ' HB2' ' A' ' 26' ' ' MET . 53.2 Cg_exo -55.93 -41.24 79.16 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.034 1.823 . . . . 0.0 112.803 174.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -62.99 -36.57 83.99 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 121.304 -0.158 . . . . 0.0 111.209 178.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.614 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 88.4 t80 -61.27 -38.86 88.27 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 121.26 -0.176 . . . . 0.0 110.586 178.016 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -59.76 -45.35 92.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.555 0.693 . . . . 0.0 110.17 177.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -66.66 -51.33 57.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.6 -1.182 . . . . 0.0 111.841 -178.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.614 ' SG ' ' HA ' ' A' ' 29' ' ' PHE . 24.3 p -73.44 -24.59 60.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.546 -174.454 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -53.16 -35.44 59.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.322 177.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -63.28 -23.74 67.56 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.428 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.2 m -113.06 -7.01 13.69 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -174.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.5 HD23 ' HG2' ' A' ' 40' ' ' GLU . 70.5 mt -112.36 155.69 23.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.838 0.351 . . . . 0.0 111.189 -176.005 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.8 p -115.65 -172.9 2.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.325 177.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.403 ' CD ' ' H3 ' ' A' ' 1' ' ' MET . 64.7 mm-40 -55.32 -40.03 70.67 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.213 0.32 . . . . 0.0 111.52 -176.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.0 p -59.23 -50.35 74.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.221 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.5 ' HG2' HD23 ' A' ' 36' ' ' LEU . 4.7 mp0 -65.52 -37.8 87.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.131 0.491 . . . . 0.0 110.057 178.115 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.459 ' O ' HG22 ' A' ' 45' ' ' VAL . 85.5 mt-30 -61.42 -40.95 96.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.345 178.494 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -66.47 -43.81 84.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.633 0.254 . . . . 0.0 110.831 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.471 ' HB3' HD22 ' A' ' 70' ' ' LEU . 7.1 m-20 -60.07 -40.55 89.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.036 0.445 . . . . 0.0 110.675 176.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.433 ' HB2' ' SD ' ' A' ' 73' ' ' MET . 75.4 t80 -63.84 -48.46 76.66 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.804 179.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 41' ' ' GLN . 90.1 t -62.86 -36.4 75.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.99 179.018 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.89 -36.01 78.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.003 0.43 . . . . 0.0 110.627 177.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 47' ' ' LEU . 20.5 mt -68.02 -37.52 81.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.166 176.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.0 mt -66.28 -21.81 66.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.943 0.402 . . . . 0.0 111.641 -176.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -75.1 -13.02 60.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.941 0.401 . . . . 0.0 110.999 176.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.4 m -123.53 -165.57 1.35 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.073 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -80.11 -175.66 5.14 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 172.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -119.25 53.82 2.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.95 -55.09 0.22 Allowed 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 121.361 1.374 . . . . 0.0 112.833 -171.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -70.04 -35.02 73.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.678 0.275 . . . . 0.0 110.672 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.603 ' HG ' HG21 ' A' ' 74' ' ' VAL . 6.6 tt -62.81 -49.94 72.95 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 178.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -61.17 -38.03 85.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.388 0.613 . . . . 0.0 110.156 178.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.748 ' HB3' ' HA3' ' A' ' 63' ' ' GLY . . . -60.83 -44.79 96.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.054 -177.379 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 14.6 m95 -72.43 -28.84 63.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.557 0.218 . . . . 0.0 111.203 -178.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 55' ' ' LEU . 93.0 t -66.76 -43.67 89.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.973 0.416 . . . . 0.0 110.3 174.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 95.3 mmm -77.98 -19.18 54.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.116 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.24 29.04 34.74 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.186 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -145.72 87.79 1.8 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 -179.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.748 ' HA3' ' HB3' ' A' ' 57' ' ' ALA . . . 159.72 168.77 22.16 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 119.918 -1.134 . . . . 0.0 113.339 175.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -120.26 137.0 54.47 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 46.1 t -93.45 150.48 20.42 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 -178.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -59.81 -40.9 89.95 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 123.762 0.664 . . . . 0.0 111.167 -177.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -151.0 156.99 42.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.007 177.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 32.3 mt -75.73 -14.26 60.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.511 -176.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.76 -47.01 92.95 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.766 -0.73 . . . . 0.0 111.517 173.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.735 ' HA ' ' HE2' ' A' ' 73' ' ' MET . 97.9 mt -67.37 -44.08 79.84 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.069 0.461 . . . . 0.0 110.172 175.635 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.32 -29.61 69.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.536 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.573 ' O ' ' HG2' ' A' ' 76' ' ' LYS . . . -60.08 -41.41 92.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.902 178.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.735 ' HE2' ' HA ' ' A' ' 70' ' ' LEU . 60.9 mtm -63.59 -44.79 93.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.156 0.503 . . . . 0.0 109.862 178.528 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.603 HG21 ' HG ' ' A' ' 55' ' ' LEU . 37.0 t -61.66 -41.19 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.605 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -58.15 -40.15 80.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.415 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 57.2 mmtt -67.63 -40.93 84.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.076 0.465 . . . . 0.0 110.234 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 74.1 mt -64.85 -45.56 94.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.206 177.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.428 HG21 ' O ' ' A' ' 74' ' ' VAL . 99.0 t -62.04 -39.41 83.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.736 178.126 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.63 -43.05 97.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.968 0.413 . . . . 0.0 110.816 178.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -71.18 -36.17 71.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.225 0.536 . . . . 0.0 110.148 178.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.427 ' O ' HG23 ' A' ' 85' ' ' VAL . 55.8 t30 -65.65 -33.72 76.55 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.842 178.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 31.7 tp -53.67 -38.9 64.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.043 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.0 t -65.6 -36.74 84.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.261 176.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -65.45 -33.64 76.41 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.186 176.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 81' ' ' ASN . 59.3 t -64.61 -36.52 77.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.383 178.071 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -76.63 -48.21 19.8 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.073 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 tt -64.57 -50.71 66.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.182 0.515 . . . . 0.0 109.899 -179.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -95.32 88.22 5.06 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.625 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -56.87 109.82 0.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.394 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.489 ' HB2' ' HD2' ' A' ' 91' ' ' HIS . 33.4 m170 -114.51 -46.94 2.93 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.914 177.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.489 ' HD2' ' HB2' ' A' ' 90' ' ' HIS . 3.1 p80 -156.24 -2.68 0.12 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.523 -177.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -143.21 155.59 44.56 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.432 -0.21 . . . . 0.0 110.432 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -154.77 -174.99 5.2 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 175.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 66.5 t60 . . . . . 0 C--O 1.245 0.847 0 CA-C-O 118.548 -0.739 . . . . 0.0 110.116 -178.319 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.638 0.256 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.542 ' CE2' ' HB3' ' A' ' 41' ' ' GLN . 86.1 m-85 -122.41 145.46 48.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.895 0.379 . . . . 0.0 110.827 -178.125 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 p -138.12 -170.67 2.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.863 -178.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.67 -45.63 93.42 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -174.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -66.91 -36.71 82.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.153 0.502 . . . . 0.0 110.203 -178.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.481 ' O ' HG13 ' A' ' 10' ' ' ILE . 17.8 mm-40 -59.25 -38.28 79.65 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.819 175.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -57.48 -38.1 73.98 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.904 0.383 . . . . 0.0 110.698 178.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.69 -42.79 85.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.317 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.422 ' HD2' ' OE1' ' A' ' 6' ' ' GLN . 75.0 mtt180 -64.51 -36.79 85.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.39 178.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 6' ' ' GLN . 88.0 mt -64.46 -43.29 96.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.3 176.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -60.28 -35.23 75.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.692 177.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -64.53 -23.93 67.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.796 0.331 . . . . 0.0 111.4 176.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.32 12.24 18.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.478 -179.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.4 p -67.29 -26.34 66.49 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 176.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 71.51 108.08 0.06 Allowed 'General case' 0 CA--C 1.528 0.129 0 O-C-N 124.185 0.928 . . . . 0.0 110.645 177.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.72 132.77 54.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.464 -177.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 168.31 -44.41 0.23 Allowed Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.986 -0.626 . . . . 0.0 111.711 -177.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.405 ' HE2' ' HB2' ' A' ' 20' ' ' GLU . 24.5 ptm -153.56 138.49 17.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.796 0.331 . . . . 0.0 110.132 175.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.3 mt -81.56 -23.0 37.46 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.347 -175.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.405 ' HB2' ' HE2' ' A' ' 18' ' ' MET . 5.9 mm-40 -62.08 -20.85 64.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.331 -177.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 28.1 mt -81.7 -40.32 22.95 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.914 177.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -61.72 -42.26 98.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.945 0.402 . . . . 0.0 110.924 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.0 m -72.4 -10.78 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -175.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.0 m -106.37 -14.91 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.484 -0.486 . . . . 0.0 111.339 177.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 73.6 mt -94.26 -57.29 4.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.511 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.653 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 27.3 ttt -61.55 -53.06 65.14 Favored Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -173.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.653 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 48.6 Cg_exo -58.62 -30.28 91.64 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 121.978 1.785 . . . . 0.0 112.169 177.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 76' ' ' LYS . 92.6 t80 -69.2 -45.25 70.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.101 178.431 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -60.83 -39.71 90.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.468 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.3 -41.17 79.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.962 0.411 . . . . 0.0 111.587 179.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -83.22 -47.14 11.87 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.733 -178.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.5 t -81.31 -17.39 49.43 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.216 -169.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.538 ' HE1' ' HB2' ' A' ' 2' ' ' TYR . 67.7 t80 -48.94 -39.09 24.96 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 122.658 0.383 . . . . 0.0 111.941 -177.487 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -69.2 -23.71 63.94 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.785 0.326 . . . . 0.0 111.625 -178.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.5 m -101.72 -23.86 14.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.733 0.302 . . . . 0.0 111.535 -176.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.413 ' HB3' ' HG3' ' A' ' 41' ' ' GLN . 91.7 mt -72.13 136.06 46.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.959 0.409 . . . . 0.0 111.171 -178.098 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 61.2 p -84.41 163.96 19.19 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.294 176.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.61 -40.08 74.72 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.452 176.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.8 m -58.21 -51.93 67.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.086 178.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -61.9 -48.08 82.08 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.622 0.725 . . . . 0.0 110.119 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.542 ' HB3' ' CE2' ' A' ' 2' ' ' TYR . 14.4 mt-30 -61.05 -35.14 76.15 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.762 -1.108 . . . . 0.0 112.499 -175.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -75.11 -46.34 35.16 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.824 0.345 . . . . 0.0 110.975 -178.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -69.31 -33.58 73.37 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.289 -177.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.443 ' HD1' ' HB3' ' A' ' 73' ' ' MET . 70.0 t80 -61.56 -50.25 73.38 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.803 177.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.7 t -70.01 -38.6 75.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.759 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.68 -32.11 68.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.567 178.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.499 HD12 HD12 ' A' ' 70' ' ' LEU . 59.5 tp -64.94 -39.63 93.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.286 -179.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.0 mt -69.25 -17.99 63.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.198 -173.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -68.27 -40.34 81.87 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -176.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.5 m -124.29 113.31 18.07 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.398 -179.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 t70 51.21 -160.3 0.09 Allowed 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.582 176.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.518 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 9.4 p-10 -155.64 52.58 0.7 Allowed Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.121 176.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.518 ' HD3' ' N ' ' A' ' 52' ' ' ASP . 3.5 Cg_exo -75.02 -48.68 0.16 Allowed 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.307 2.005 . . . . 0.0 112.53 -171.118 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -66.62 -34.43 77.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.194 0.521 . . . . 0.0 110.053 178.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.3 tt -71.5 -51.75 21.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.069 -178.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -56.81 -39.12 73.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.051 178.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.23 -52.05 66.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.32 -176.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.506 ' HB2' HG11 ' A' ' 74' ' ' VAL . 18.2 m95 -77.9 -31.09 50.99 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.585 -174.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 77.9 t -68.86 -45.58 80.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 110.91 177.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.2 mmt -82.6 -13.54 56.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.897 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.3 47.27 90.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.832 178.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -144.03 28.46 1.39 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.439 0.161 . . . . 0.0 111.1 -175.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -168.6 -165.65 26.35 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 119.715 -1.231 . . . . 0.0 113.548 -177.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -141.8 158.96 43.16 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 -178.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.571 ' SG ' ' HB3' ' A' ' 71' ' ' ALA . 28.4 p -105.61 166.18 10.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.663 0.268 . . . . 0.0 110.401 -179.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -78.48 -47.6 17.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.939 176.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -126.65 149.72 49.36 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 178.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 16.0 mt -77.4 -14.97 59.59 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -178.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.34 -47.76 89.5 Favored Glycine 0 CA--C 1.516 0.13 0 C-N-CA 120.537 -0.84 . . . . 0.0 111.473 176.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.499 HD12 HD12 ' A' ' 47' ' ' LEU . 40.1 mt -66.62 -35.0 79.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.957 0.408 . . . . 0.0 110.243 173.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.571 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -62.61 -38.04 88.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.028 179.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.18 -35.22 79.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.897 0.379 . . . . 0.0 110.615 177.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.85 ' HE2' ' HA ' ' A' ' 73' ' ' MET . 19.5 mmt -71.24 -46.74 60.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.43 177.404 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.506 HG11 ' HB2' ' A' ' 58' ' ' TRP . 61.2 t -64.04 -37.98 81.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.853 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -54.95 -45.94 74.95 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.072 177.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 96.2 mttt -65.62 -34.42 78.19 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.625 178.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 73' ' ' MET . 71.9 mt -64.94 -47.56 87.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.18 175.089 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.489 HG22 ' O ' ' A' ' 74' ' ' VAL . 99.1 t -59.02 -46.42 91.71 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.838 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.59 -41.16 80.63 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.218 0.532 . . . . 0.0 110.732 178.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -69.55 -38.46 77.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.523 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.424 ' O ' HG21 ' A' ' 85' ' ' VAL . 63.7 t30 -69.47 -45.93 67.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 179.335 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 69.1 mt -56.51 -30.68 63.3 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 121.0 0.429 . . . . 0.0 110.776 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.656 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 49.5 m -65.4 -49.43 69.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.402 178.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.461 ' HA ' HD13 ' A' ' 87' ' ' LEU . 17.4 ptmt -69.38 -22.92 63.68 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.521 -0.471 . . . . 0.0 110.861 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.424 HG21 ' O ' ' A' ' 81' ' ' ASN . 84.2 t -76.74 -42.55 33.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.805 0.336 . . . . 0.0 110.495 176.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.51 ' HG2' ' O ' ' A' ' 83' ' ' SER . 38.7 ptt180 -72.24 -15.0 61.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.967 -178.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' ' 83' ' ' SER . 52.4 mt -64.49 -39.69 94.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.408 176.524 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 62.87 135.18 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -176.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.432 ' HB3' ' H ' ' A' ' 90' ' ' HIS . 15.1 m-70 60.41 -145.78 0.48 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.043 -177.036 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.432 ' H ' ' HB3' ' A' ' 89' ' ' HIS . 33.2 t60 68.28 17.65 9.27 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 122.886 0.474 . . . . 0.0 110.936 176.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 60.95 21.86 12.1 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.029 173.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 62.97 16.14 8.98 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 176.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 80.4 t60 61.51 60.79 1.6 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.989 0.9 . . . . 0.0 109.869 -174.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.4 m170 . . . . . 0 C--O 1.244 0.801 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.679 177.868 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.535 0.207 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.524 ' OH ' HD11 ' A' ' 10' ' ' ILE . 0.5 OUTLIER 69.83 159.78 0.19 Allowed 'General case' 0 C--O 1.234 0.245 0 O-C-N 124.146 0.904 . . . . 0.0 112.259 174.653 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.1 p -136.95 155.27 49.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.486 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.9 -26.59 68.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.334 0.588 . . . . 0.0 109.832 173.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -61.34 -44.93 96.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.625 176.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.573 ' OE1' ' HD2' ' A' ' 9' ' ' ARG . 6.5 tp-100 -65.63 -37.72 87.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.498 177.48 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -59.99 -34.39 73.26 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.285 178.371 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.86 -36.87 85.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.045 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.573 ' HD2' ' OE1' ' A' ' 6' ' ' GLN . 80.2 mtt180 -63.58 -36.95 85.49 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.078 0.466 . . . . 0.0 110.111 178.719 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.524 HD11 ' OH ' ' A' ' 2' ' ' TYR . 62.8 mt -64.67 -44.66 96.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.305 177.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -55.67 -40.71 72.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.31 -178.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.0 m95 -72.7 -30.24 64.05 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.65 -34.8 24.96 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -171.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.0 p -66.76 -24.28 66.19 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.033 0.444 . . . . 0.0 111.232 -177.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.437 HH21 ' CG ' ' A' ' 22' ' ' ASP . 2.0 mmp_? -66.51 92.09 0.2 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.692 -178.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -103.65 -174.31 2.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.85 173.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.6 -4.86 90.18 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.163 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 22.7 ptp -118.9 132.9 56.11 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 176.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.2 mt -74.27 -24.93 59.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.736 -173.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -55.98 -41.64 75.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.759 -176.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.5 mt -73.8 -46.2 46.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.893 0.377 . . . . 0.0 110.729 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.437 ' CG ' HH21 ' A' ' 15' ' ' ARG . 22.8 t70 -61.66 -39.42 91.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.083 -177.43 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.6 p -74.4 -20.25 17.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.833 -176.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.6 m -99.93 10.34 7.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 121.057 0.455 . . . . 0.0 110.586 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 84.6 mt -120.46 -49.07 3.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.961 176.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.732 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 35.5 ttm -53.46 -56.01 29.01 Favored Pre-proline 0 CA--C 1.539 0.531 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -173.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.732 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 94.2 Cg_endo -89.79 -21.25 1.07 Allowed 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 121.868 1.712 . . . . 0.0 112.648 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.63 ' CE2' HG12 ' A' ' 77' ' ' ILE . 82.4 t80 -69.78 -37.02 76.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.769 -178.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -58.4 -34.89 71.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.599 177.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.423 ' OE2' ' HA ' ' A' ' 27' ' ' PRO . 31.0 mt-10 -57.7 -38.66 75.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.33 0.586 . . . . 0.0 110.443 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -85.01 -48.11 9.56 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.568 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 10.8 t -71.86 -22.6 61.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.812 -171.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -54.73 -35.65 63.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.131 0.491 . . . . 0.0 110.912 178.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -64.88 -27.83 69.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.009 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.8 t -102.25 -5.37 24.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.98 -176.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 73.3 mt -103.41 126.76 50.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.975 0.417 . . . . 0.0 111.566 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.401 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 22.3 p -90.02 164.83 14.36 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.164 175.213 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -56.53 -43.02 79.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.658 0.266 . . . . 0.0 111.038 -177.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.4 t -57.56 -42.02 82.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.055 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -70.79 -40.92 72.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.573 0.701 . . . . 0.0 109.887 177.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.464 ' O ' HG23 ' A' ' 45' ' ' VAL . 35.1 mt-30 -65.27 -35.49 81.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.82 -177.529 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.07 -46.7 89.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.019 0.437 . . . . 0.0 111.047 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -69.57 -32.1 70.67 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.823 -178.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.558 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 83.6 t80 -66.65 -49.34 66.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.726 176.646 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 41' ' ' GLN . 90.1 t -65.27 -36.7 78.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 110.745 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.97 -38.87 80.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.061 0.457 . . . . 0.0 110.918 176.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 22.8 tp -67.42 -38.54 84.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.665 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 44' ' ' PHE . 96.6 mt -60.48 -23.19 64.29 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -169.188 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -73.24 -14.78 61.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.001 0.429 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.8 m -116.55 -160.91 0.78 Allowed 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 176.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.465 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 33.1 m-20 -108.82 177.2 4.84 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 174.518 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.808 ' HB2' ' HB2' ' A' ' 55' ' ' LEU . 0.5 OUTLIER -123.49 63.79 27.19 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.592 -178.103 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.465 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 24.3 Cg_exo -62.73 -52.99 1.92 Allowed 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.321 2.014 . . . . 0.0 112.274 -177.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.408 ' O ' ' HD1' ' A' ' 58' ' ' TRP . 55.2 m-20 -69.3 -34.09 74.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.208 0.528 . . . . 0.0 110.146 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.808 ' HB2' ' HB2' ' A' ' 52' ' ' ASP . 67.4 mt -70.94 -38.33 72.86 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.17 -178.533 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -57.36 -37.15 72.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.481 0.657 . . . . 0.0 109.915 174.16 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.47 -26.53 64.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.298 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.408 ' HD1' ' O ' ' A' ' 54' ' ' ASP . 12.9 m95 -67.16 -35.99 80.87 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.904 0.383 . . . . 0.0 110.204 174.258 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 43.1 t -66.91 -31.48 53.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.446 177.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 92.4 mmm -89.06 -11.3 44.48 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.959 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.05 46.43 6.64 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.772 177.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -168.4 47.72 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -120.63 -179.65 16.28 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.338 -0.934 . . . . 0.0 113.472 -175.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -140.0 122.47 16.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.092 0.473 . . . . 0.0 110.657 178.234 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 49.0 t -142.66 108.51 5.15 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -79.94 -33.74 39.42 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.747 -173.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.4 HD21 HD12 ' A' ' 70' ' ' LEU . 13.1 p-10 -86.85 96.75 10.32 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.647 0.737 . . . . 0.0 109.306 178.203 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.1 mt -67.33 -6.81 20.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.123 -174.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.45 -41.54 99.56 Favored Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 170.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.48 ' O ' ' HG3' ' A' ' 73' ' ' MET . 13.6 mt -71.67 -48.77 45.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.075 0.464 . . . . 0.0 110.465 174.489 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.74 -27.43 67.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.509 -178.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.3 -50.54 73.59 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.103 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.579 ' O ' HG13 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -72.12 -29.36 64.0 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.35 -178.042 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.652 HG21 HD22 ' A' ' 55' ' ' LEU . 96.5 t -63.85 -45.82 96.01 Favored 'Isoleucine or valine' 0 C--O 1.231 0.105 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 175.564 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -57.18 -41.68 79.77 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.49 177.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -65.85 -33.99 77.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.739 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.63 HG12 ' CE2' ' A' ' 28' ' ' PHE . 73.4 mt -69.09 -48.14 71.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.918 0.389 . . . . 0.0 110.371 174.58 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.553 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 95.2 t -58.95 -39.35 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.493 -177.572 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.63 -38.72 72.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.344 . . . . 0.0 111.31 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -72.6 -35.65 67.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.606 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -68.85 -35.69 77.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.172 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 81.3 mt -55.51 -33.73 64.0 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -178.034 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.687 ' HA ' ' HG2' ' A' ' 86' ' ' ARG . 62.5 p -73.67 -31.1 63.29 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.752 -179.142 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -65.83 -42.72 90.23 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 173.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.94 -43.16 92.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.938 -177.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.687 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 14.9 ptm180 -72.99 -24.88 60.82 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.188 -179.29 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.691 HD22 ' HG3' ' A' ' 88' ' ' GLU . 1.0 OUTLIER -77.01 -75.59 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.752 -178.71 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.691 ' HG3' HD22 ' A' ' 87' ' ' LEU . 42.6 mt-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.243 -176.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -137.24 119.26 15.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.998 0.428 . . . . 0.0 110.924 -176.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.6 p -99.15 -172.31 2.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.851 176.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.29 -30.69 70.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.067 0.461 . . . . 0.0 110.524 175.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -71.8 -41.18 68.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.392 178.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.556 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 17.6 mm-40 -69.64 -32.96 71.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.145 176.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -66.42 -34.03 77.05 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.832 177.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.588 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . . . -64.71 -40.53 95.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.913 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 6' ' ' GLN . 16.6 ptm180 -69.64 -28.97 66.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.083 0.468 . . . . 0.0 110.182 179.118 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 78.0 mt -74.19 -48.63 36.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.781 176.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.588 ' HG2' ' HA ' ' A' ' 8' ' ' ALA . 22.3 ptmt -62.3 -36.21 81.42 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.286 -178.073 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 16.7 m95 -72.3 -21.74 61.3 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.205 -0.309 . . . . 0.0 111.703 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.39 -49.4 11.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.706 0.288 . . . . 0.0 111.099 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.7 p -73.67 -46.42 46.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.922 0.391 . . . . 0.0 111.115 -178.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.473 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 28.0 ttm180 -81.58 169.0 17.6 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.473 ' HB2' ' O ' ' A' ' 15' ' ' ARG . 8.7 mpt_? 72.29 -56.61 0.64 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 122.893 0.477 . . . . 0.0 109.874 -172.416 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.97 -57.7 6.14 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 121.075 -0.583 . . . . 0.0 111.866 176.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.562 ' HB3' ' HB2' ' A' ' 21' ' ' LEU . 25.3 mmt -115.51 97.96 6.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.762 0.315 . . . . 0.0 110.976 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 72.1 mt -81.19 -25.89 36.41 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.979 0.419 . . . . 0.0 110.644 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -81.03 -31.8 34.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.981 178.014 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.562 ' HB2' ' HB3' ' A' ' 18' ' ' MET . 90.4 mt -94.49 -8.92 37.02 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -173.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -56.54 -38.37 71.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.295 0.569 . . . . 0.0 110.47 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.3 t -61.19 -28.06 43.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.695 -177.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.439 ' HA ' ' CD1' ' A' ' 28' ' ' PHE . 34.8 m -105.19 6.79 10.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.42 -177.64 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 82.8 mt -112.47 -65.2 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.546 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 64.6 mtp -58.95 -54.4 56.81 Favored Pre-proline 0 N--CA 1.466 0.368 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -172.076 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -68.36 -34.85 19.87 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 121.424 1.416 . . . . 0.0 112.33 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.598 ' HZ ' ' HD3' ' A' ' 84' ' ' LYS . 48.0 m-85 -69.46 -36.93 77.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.204 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -61.76 -41.4 97.64 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 177.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.546 ' HG3' ' O ' ' A' ' 26' ' ' MET . 32.5 mt-10 -61.56 -35.32 77.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.63 0.729 . . . . 0.0 110.426 178.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -72.33 -51.52 20.31 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.027 177.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.508 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 85.6 m -74.79 -24.21 58.62 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -175.456 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -52.28 -37.32 55.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.113 0.482 . . . . 0.0 111.094 177.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -70.48 -31.68 68.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.213 177.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.1 t -99.48 5.82 46.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.269 -173.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 92.5 mt -117.29 154.48 31.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.875 0.369 . . . . 0.0 110.929 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 25.1 p -96.36 170.49 9.2 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 172.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -56.08 -41.23 74.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.834 0.35 . . . . 0.0 110.828 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.9 m -54.83 -49.15 71.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.393 178.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.8 -39.1 90.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.628 0.728 . . . . 0.0 110.112 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.444 ' O ' HG23 ' A' ' 45' ' ' VAL . 42.0 mt-30 -62.29 -39.59 93.47 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.577 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -62.47 -41.08 98.53 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.467 0.651 . . . . 0.0 110.734 177.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -64.55 -42.99 95.34 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.637 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -65.25 -45.98 82.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.295 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 41' ' ' GLN . 73.0 t -61.3 -36.95 76.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 110.865 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.52 -39.7 84.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.221 175.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.48 HD13 HD12 ' A' ' 55' ' ' LEU . 10.6 mt -63.75 -35.58 81.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.873 178.361 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 98.5 mt -56.7 -35.81 68.92 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -177.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -86.54 -12.42 48.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.986 0.422 . . . . 0.0 111.435 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.0 m -87.79 -170.31 2.95 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.871 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.535 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 11.6 m-20 -91.25 169.79 10.53 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.247 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.559 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 15.2 p-10 -125.81 50.72 4.83 Favored Pre-proline 0 CA--C 1.539 0.546 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -174.676 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.559 ' HD3' ' N ' ' A' ' 52' ' ' ASP . 0.9 OUTLIER -84.68 -55.91 0.03 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.735 0 C-N-CA 121.673 1.582 . . . . 0.0 111.812 -179.026 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.491 ' O ' ' HD1' ' A' ' 58' ' ' TRP . 12.6 p-10 -70.5 -33.24 70.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.024 176.206 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.48 HD12 HD13 ' A' ' 47' ' ' LEU . 6.3 tt -58.89 -49.37 78.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.762 177.605 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -58.33 -39.91 80.71 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.511 178.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.28 -37.36 83.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.903 -176.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.491 ' HD1' ' O ' ' A' ' 54' ' ' ASP . 22.7 m95 -67.06 -41.56 86.23 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 120.726 0.298 . . . . 0.0 111.266 -179.535 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.525 ' HA ' HG22 ' A' ' 78' ' ' VAL . 48.6 t -65.67 -32.31 57.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.588 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 25.7 ttt -82.19 -21.62 36.36 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.191 -179.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.44 22.29 10.6 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.9 -0.667 . . . . 0.0 113.674 174.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 26.1 m80 -143.07 43.28 1.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 122.372 -0.487 . . . . 0.0 110.401 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.543 ' C ' ' HD2' ' A' ' 64' ' ' ARG . . . -119.05 146.85 18.39 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.027 -1.082 . . . . 0.0 113.782 -172.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.543 ' HD2' ' C ' ' A' ' 63' ' ' GLY . 4.8 mpt_? -126.52 144.02 51.01 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 170.403 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.406 ' HB2' ' NE1' ' A' ' 58' ' ' TRP . 15.3 t -129.41 160.82 31.92 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.218 -171.506 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -60.23 -49.75 76.36 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.896 177.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -127.05 133.9 50.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.398 -175.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 24.7 mt -75.84 -18.31 59.51 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -177.23 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.03 -41.29 97.91 Favored Glycine 0 N--CA 1.453 -0.195 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 173.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.452 HD22 HD11 ' A' ' 47' ' ' LEU . 16.8 mt -58.12 -49.35 77.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.446 0.641 . . . . 0.0 110.069 172.603 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.07 -26.49 68.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.743 -177.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.15 -51.99 66.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.728 0.299 . . . . 0.0 111.575 -178.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.423 ' HE1' HD12 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -73.62 -28.81 62.0 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.151 -178.744 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.479 ' O ' HG23 ' A' ' 78' ' ' VAL . 88.7 t -68.71 -37.42 77.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.104 0.478 . . . . 0.0 110.197 174.578 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -60.04 -37.88 81.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.979 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -65.06 -34.85 79.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.409 177.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 68.7 mt -67.98 -46.34 82.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.054 175.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.525 HG22 ' HA ' ' A' ' 59' ' ' VAL . 57.5 t -58.61 -46.52 90.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.83 179.228 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.93 -40.52 84.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.056 0.455 . . . . 0.0 111.257 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -67.91 -38.2 82.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.796 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.496 ' O ' HG23 ' A' ' 85' ' ' VAL . 64.2 t30 -69.86 -44.06 70.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.749 179.313 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.5 mt -56.75 -34.78 67.89 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 120.909 0.385 . . . . 0.0 111.284 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.623 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 23.7 m -66.65 -48.42 69.45 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.965 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.598 ' HD3' ' HZ ' ' A' ' 28' ' ' PHE . 12.2 ptmm? -69.16 -23.34 63.93 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.855 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 81' ' ' ASN . 72.5 t -75.99 -42.74 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.849 0.357 . . . . 0.0 110.271 176.541 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' ' 83' ' ' SER . 7.0 ptm180 -71.24 -20.92 62.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 -177.242 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 83' ' ' SER . 76.3 mt -61.5 -44.08 97.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.958 176.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 . . . . . 0 N--CA 1.47 0.566 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 178.548 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.404 ' HB2' ' HB2' ' A' ' 6' ' ' GLN . 33.7 p90 -143.27 143.27 31.65 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.908 0.385 . . . . 0.0 111.461 -174.158 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.8 p -101.72 -176.49 3.15 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.648 174.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.23 -30.09 69.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.04 0.447 . . . . 0.0 110.447 176.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -64.06 -47.54 79.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.549 178.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.404 ' HB2' ' HB2' ' A' ' 2' ' ' TYR . 63.8 mt-30 -69.66 -35.78 75.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.566 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -61.02 -33.31 73.07 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.363 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.54 -41.79 86.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.911 0.386 . . . . 0.0 110.33 176.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -67.12 -36.43 81.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.079 0.466 . . . . 0.0 110.22 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.9 mt -64.34 -43.78 97.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.431 177.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -57.93 -38.37 75.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.953 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -72.08 -27.45 62.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.009 177.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.406 ' O ' ' HD3' ' A' ' 16' ' ' ARG . . . -77.41 -10.48 59.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.41 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.483 ' HB3' ' HB2' ' A' ' 22' ' ' ASP . 80.6 m -70.19 -28.19 65.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.144 0.497 . . . . 0.0 110.605 175.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 -84.3 83.67 7.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.613 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.406 ' HD3' ' O ' ' A' ' 13' ' ' ALA . 1.4 mpt_? -113.12 -80.82 0.59 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.929 174.067 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -129.57 -11.59 2.67 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.286 -0.959 . . . . 0.0 112.622 175.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.414 ' CG ' ' HG ' ' A' ' 21' ' ' LEU . 11.8 tpt -138.98 99.17 3.7 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.768 -0.254 . . . . 0.0 111.142 -175.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 72.7 mt -63.92 -29.53 70.69 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.002 0.43 . . . . 0.0 111.213 179.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -63.05 -19.26 64.22 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.489 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.52 ' O ' HG12 ' A' ' 25' ' ' ILE . 78.2 mt -72.85 -29.57 63.32 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-N 116.748 -0.205 . . . . 0.0 111.185 177.343 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.483 ' HB2' ' HB3' ' A' ' 14' ' ' CYS . 4.2 t70 -50.77 -38.72 49.62 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.088 0.471 . . . . 0.0 111.592 -177.584 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 38.5 t -71.02 -34.85 56.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.748 -177.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.413 ' HA ' ' CE1' ' A' ' 28' ' ' PHE . 35.2 m -102.51 2.37 10.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -173.386 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.52 HG12 ' O ' ' A' ' 21' ' ' LEU . 44.1 mm -105.28 -59.03 3.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.521 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.61 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 12.2 tmm? -61.32 -54.19 55.41 Favored Pre-proline 0 CA--C 1.54 0.573 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -171.149 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.61 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 22.5 Cg_exo -65.62 -33.15 46.31 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 121.793 1.662 . . . . 0.0 112.112 -177.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.413 ' CE1' ' HA ' ' A' ' 24' ' ' VAL . 1.5 m-85 -69.15 -36.09 77.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.081 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.549 ' HZ ' ' NE2' ' A' ' 41' ' ' GLN . 27.9 t80 -64.49 -37.32 87.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.963 177.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -58.47 -36.7 74.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.495 0.664 . . . . 0.0 110.462 178.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -76.02 -51.36 12.48 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.034 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.436 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 62.2 m -63.82 -30.99 72.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.779 0.323 . . . . 0.0 111.62 -177.124 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -54.6 -34.24 61.7 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 123.174 0.589 . . . . 0.0 111.439 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -55.93 -39.74 72.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.96 0.41 . . . . 0.0 111.007 177.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.1 m -95.5 -1.1 51.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.048 0.451 . . . . 0.0 111.233 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 96.5 mt -99.02 143.26 29.5 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.101 0.477 . . . . 0.0 110.763 176.351 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.3 p -86.89 169.81 12.19 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.181 175.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -55.57 -38.47 69.39 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.875 0.369 . . . . 0.0 111.261 177.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.5 m -58.33 -47.2 84.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.781 177.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -70.9 -34.29 71.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.395 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.549 ' NE2' ' HZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -57.96 -41.29 82.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.268 175.143 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -65.51 -45.29 84.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.708 177.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -58.71 -41.02 85.33 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.509 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.568 ' HD2' ' HB3' ' A' ' 73' ' ' MET . 31.4 t80 -67.73 -44.9 76.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.945 -178.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 41' ' ' GLN . 97.6 t -60.81 -42.86 93.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.773 0.32 . . . . 0.0 110.45 178.621 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.96 -36.09 69.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.203 177.391 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.23 -45.01 93.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.991 178.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.6 mt -70.14 -25.78 63.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.225 -178.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -74.09 -14.18 60.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.046 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.4 t -96.03 -168.26 1.72 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 176.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.584 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 8.7 t70 -93.25 -178.59 4.81 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 179.008 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.537 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 23.9 p30 -122.43 50.29 2.6 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -176.629 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.584 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 1.1 Cg_endo -83.89 -56.72 0.03 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 121.76 1.64 . . . . 0.0 111.71 -179.133 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.475 ' O ' ' HD1' ' A' ' 58' ' ' TRP . 37.3 t70 -69.96 -36.42 75.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.177 177.252 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.0 tt -58.68 -45.37 89.58 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.072 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -57.83 -33.95 69.18 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 121.13 0.491 . . . . 0.0 110.327 177.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.78 -29.04 61.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.783 -178.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.601 ' HZ2' ' H ' ' A' ' 65' ' ' CYS . 31.8 m95 -70.0 -35.27 74.25 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.698 177.116 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 51.2 t -68.34 -29.63 44.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.407 178.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 67.5 mtm -85.85 -14.64 44.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.497 175.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.36 44.4 5.9 Favored Glycine 0 N--CA 1.45 -0.369 0 CA-C-N 115.904 -0.589 . . . . 0.0 113.195 175.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -158.91 32.49 0.21 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.997 0.398 . . . . 0.0 110.625 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.415 ' HA3' ' CD1' ' A' ' 58' ' ' TRP . . . -98.8 173.2 26.62 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.202 -179.274 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -155.02 93.9 1.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.304 0.573 . . . . 0.0 110.96 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.601 ' H ' ' HZ2' ' A' ' 58' ' ' TRP . 86.5 m -75.44 163.2 27.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.836 179.376 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -59.17 -46.21 89.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.123 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -134.92 154.94 51.49 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.183 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.3 mt -75.15 -17.23 60.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.37 -176.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.69 -46.97 88.51 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.013 174.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 89.2 mt -71.27 -31.69 67.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.065 0.459 . . . . 0.0 110.507 176.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.91 -30.93 69.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.221 -178.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.481 ' O ' ' HG3' ' A' ' 76' ' ' LYS . . . -61.15 -30.35 70.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.968 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.568 ' HB3' ' HD2' ' A' ' 44' ' ' PHE . 17.6 mmt -65.4 -47.29 76.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.743 178.671 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.42 ' O ' HG23 ' A' ' 78' ' ' VAL . 38.9 t -66.22 -37.94 80.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.133 177.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -54.39 -47.23 72.94 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.251 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 72' ' ' ALA . 88.3 mttt -67.34 -34.41 77.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.146 -178.205 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 82.6 mt -66.78 -48.42 79.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.083 175.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 74' ' ' VAL . 96.9 t -62.39 -36.8 76.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.935 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.61 -41.86 86.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.044 0.449 . . . . 0.0 110.889 177.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -71.73 -44.72 63.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.569 177.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.451 ' O ' HG23 ' A' ' 85' ' ' VAL . 57.9 t30 -64.54 -36.66 84.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.22 -177.312 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.1 tp -54.66 -38.79 67.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.131 0.491 . . . . 0.0 111.028 -178.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.593 ' HA ' ' HG2' ' A' ' 86' ' ' ARG . 10.5 t -67.9 -36.99 81.18 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.478 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -70.5 -31.29 68.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.111 0.482 . . . . 0.0 110.37 175.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 81' ' ' ASN . 75.4 t -68.79 -36.2 73.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.725 178.015 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.593 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 15.9 ptm180 -81.25 -30.2 34.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.365 177.683 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.2 tt -59.06 -52.82 64.12 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 174.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.023 173.695 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.6 ttm . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.462 0.172 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -62.44 118.72 7.9 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 178.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.519 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 30.2 p -71.72 167.27 20.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.182 0.515 . . . . 0.0 112.118 -173.319 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.23 96.33 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.321 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -62.38 -40.01 95.05 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.242 0.544 . . . . 0.0 109.661 178.089 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -69.62 -31.56 69.75 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.857 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.519 ' HG3' ' O ' ' A' ' 3' ' ' THR . 60.2 mttp -61.97 -34.07 75.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.728 0.299 . . . . 0.0 110.968 176.395 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.27 -36.22 82.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.099 0.476 . . . . 0.0 110.545 177.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -67.31 -31.8 72.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.555 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 72.6 mt -64.76 -43.67 96.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.008 174.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.53 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 99.6 mttt -57.4 -41.64 80.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.586 176.634 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.7 m95 -63.85 -27.16 68.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.315 178.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.554 ' HB1' ' HB3' ' A' ' 48' ' ' LEU . . . -73.92 -36.85 64.73 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.868 0.366 . . . . 0.0 110.579 177.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 81.9 m -65.1 -25.79 67.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.289 0.566 . . . . 0.0 110.437 176.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.53 ' HG2' ' O ' ' A' ' 11' ' ' LYS . 15.3 mmt180 -75.83 -1.51 25.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.879 178.128 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.433 ' NE ' ' HA ' ' A' ' 16' ' ' ARG . 2.2 mmp_? -98.32 101.44 12.9 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 122.083 -0.386 . . . . 0.0 111.443 -174.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.14 -48.23 2.4 Favored Glycine 0 CA--C 1.52 0.349 0 CA-C-N 115.916 -0.584 . . . . 0.0 114.148 172.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.601 ' HB2' ' HB2' ' A' ' 21' ' ' LEU . 21.0 ptp -79.96 50.26 1.18 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.071 0.462 . . . . 0.0 111.465 -175.329 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.1 mt -53.84 -41.41 67.4 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -175.117 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -77.8 -20.81 52.61 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.357 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.601 ' HB2' ' HB2' ' A' ' 18' ' ' MET . 95.3 mt -86.25 -25.18 25.69 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.647 0.261 . . . . 0.0 110.348 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -52.58 -45.75 66.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.074 177.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.0 t -69.47 -28.4 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.234 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.541 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 60.9 t -85.99 -46.29 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.32 -176.054 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 80.5 mt -69.71 -33.86 58.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.671 -176.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.72 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 44.1 ttm -51.5 -53.97 44.16 Favored Pre-proline 0 CA--C 1.543 0.69 0 N-CA-C 113.067 0.765 . . . . 0.0 113.067 -175.531 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.72 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 12.7 Cg_exo -72.14 -29.68 14.22 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 121.935 1.757 . . . . 0.0 112.801 178.651 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.0 m-30 -68.24 -43.37 78.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.994 0.426 . . . . 0.0 110.08 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -56.57 -40.62 75.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.956 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -60.86 -41.95 96.92 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.914 0.388 . . . . 0.0 111.706 -176.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -85.62 -35.82 20.74 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.359 -0.382 . . . . 0.0 112.0 -178.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.478 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 73.7 m -80.58 -22.27 40.86 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -176.558 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.545 ' HA ' HD12 ' A' ' 36' ' ' LEU . 84.7 t80 -55.38 -35.09 64.91 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 -178.323 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -57.15 -36.58 70.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.028 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.3 m -96.73 -5.35 38.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.966 0.412 . . . . 0.0 110.987 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' A' ' 33' ' ' PHE . 71.6 mt -77.16 104.09 7.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.221 176.346 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.579 ' OG1' ' HG2' ' A' ' 40' ' ' GLU . 72.4 p -70.64 172.7 8.19 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 174.14 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -57.46 -38.06 73.88 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.248 0.547 . . . . 0.0 109.777 177.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.6 m -64.38 -48.72 74.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.605 177.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.579 ' HG2' ' OG1' ' A' ' 37' ' ' THR . 6.2 mm-40 -58.48 -42.98 88.76 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.626 0.727 . . . . 0.0 109.328 177.574 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.443 ' O ' HG23 ' A' ' 45' ' ' VAL . 2.3 mm-40 -63.09 -39.69 95.45 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.298 178.309 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -64.2 -46.22 84.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.848 0.356 . . . . 0.0 110.904 -176.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.503 ' HB3' HD23 ' A' ' 70' ' ' LEU . 0.8 OUTLIER -60.04 -41.36 92.11 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.701 178.242 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.549 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 18.9 t80 -67.03 -45.06 78.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.798 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 41' ' ' GLN . 79.4 t -64.39 -40.55 89.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 120.567 0.222 . . . . 0.0 111.201 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.75 -39.44 84.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.356 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.522 ' HB3' ' OD2' ' A' ' 52' ' ' ASP . 9.6 mt -67.86 -49.84 59.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.05 177.193 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.554 ' HB3' ' HB1' ' A' ' 13' ' ' ALA . 92.7 mt -56.42 -18.65 11.85 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.66 1.355 . . . . 0.0 114.66 -169.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -62.04 -49.78 74.65 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.43 -0.508 . . . . 0.0 111.824 -175.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.3 m -159.9 116.53 2.52 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.795 0.331 . . . . 0.0 111.399 176.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.7 t70 67.42 123.67 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 114.701 -1.136 . . . . 0.0 112.854 173.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.522 ' OD2' ' HB3' ' A' ' 47' ' ' LEU . 3.0 m-20 -118.01 78.13 12.84 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.885 -178.143 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -74.25 -44.25 0.45 Allowed 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.228 1.952 . . . . 0.0 112.025 -178.357 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.21 -44.67 92.27 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.263 0.554 . . . . 0.0 109.905 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.452 ' O ' HG23 ' A' ' 59' ' ' VAL . 0.6 OUTLIER -60.72 -49.91 75.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.139 179.774 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -60.28 -39.64 87.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.329 -177.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.98 -43.71 64.7 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -176.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.411 ' HE1' ' HB2' ' A' ' 65' ' ' CYS . 27.0 m95 -70.54 -29.59 66.1 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.53 -176.368 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 55' ' ' LEU . 78.1 t -69.45 -41.33 80.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 C-N-CA 121.228 -0.189 . . . . 0.0 111.103 178.381 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 18.3 ptp -77.51 -22.35 51.31 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.834 -178.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.5 30.7 6.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.426 178.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -131.52 42.49 3.18 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 178.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.435 ' O ' ' HB2' ' A' ' 64' ' ' ARG . . . -84.37 -118.43 0.77 Allowed Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 114.969 -1.014 . . . . 0.0 114.321 -169.405 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 63' ' ' GLY . 55.4 mtt180 70.1 132.87 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.76 0.824 . . . . 0.0 109.755 -164.608 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.411 ' HB2' ' HE1' ' A' ' 58' ' ' TRP . 52.1 t -155.11 164.51 38.75 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.249 -173.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -77.38 -34.05 55.02 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.556 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.539 ' ND2' ' HG ' ' A' ' 70' ' ' LEU . 19.2 t30 -113.36 112.21 23.28 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.208 -177.68 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 24.6 mt -75.18 -14.2 60.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.606 -178.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -59.93 -38.85 94.75 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.279 174.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.539 ' HG ' ' ND2' ' A' ' 67' ' ' ASN . 96.1 mt -61.45 -43.38 98.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.239 0.542 . . . . 0.0 110.216 175.328 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.2 -31.26 69.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.529 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.87 -45.83 85.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.513 -177.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.757 ' HA ' ' HE2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -74.19 -28.51 61.31 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.103 179.837 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 70' ' ' LEU . 90.9 t -69.03 -39.92 80.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.646 0.26 . . . . 0.0 111.06 178.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -59.4 -34.69 72.76 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.982 0.42 . . . . 0.0 110.866 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.757 ' HE2' ' HA ' ' A' ' 73' ' ' MET . 40.5 mttm -62.44 -38.08 88.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.08 177.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 75.5 mt -68.63 -38.79 79.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.073 177.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.527 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 76.1 t -60.08 -42.55 90.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.532 178.437 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.79 -41.09 77.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.052 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -72.16 -39.87 68.4 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.966 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.527 ' ND2' ' HA ' ' A' ' 78' ' ' VAL . 8.0 p30 -67.32 -33.44 75.27 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.163 -178.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.3 tp -56.77 -38.32 72.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.35 0.595 . . . . 0.0 109.814 173.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.442 ' HA ' ' HG2' ' A' ' 86' ' ' ARG . 33.6 m -70.19 -31.15 68.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.708 177.155 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -66.51 -35.68 80.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.171 175.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 81' ' ' ASN . 59.3 t -69.24 -37.21 75.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.84 -179.555 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.442 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 30.0 ptt180 -79.11 -16.7 56.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.248 0.547 . . . . 0.0 110.789 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 52.5 tp -90.36 -48.19 7.28 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.637 175.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 85' ' ' VAL . 14.5 mt-10 . . . . . 0 C--N 1.332 -0.195 0 C-N-CA 123.744 0.818 . . . . 0.0 112.63 -177.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 tpt . . . . . 0 N--CA 1.482 1.165 0 CA-C-O 120.431 0.158 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.628 ' HA ' ' OE1' ' A' ' 6' ' ' GLN . 85.0 m-85 62.48 103.94 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.154 0.502 . . . . 0.0 111.144 -175.467 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.51 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 75.5 p -70.06 168.46 15.46 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.6 -177.685 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.47 -32.74 74.27 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.899 175.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -71.08 -40.38 71.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.345 176.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.628 ' OE1' ' HA ' ' A' ' 2' ' ' TYR . 58.8 tt0 -68.83 -29.7 68.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.927 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 3' ' ' THR . 38.1 mmtm -54.6 -31.99 57.96 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.504 176.12 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.31 -48.76 78.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.979 -174.074 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -62.39 -31.18 71.81 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.947 0.403 . . . . 0.0 111.096 -177.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.3 mt -69.9 -51.84 36.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.27 177.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -67.49 -39.09 85.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.74 -174.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 13.6 m95 -66.23 -23.25 66.39 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.716 0.294 . . . . 0.0 111.165 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.434 ' O ' ' HB3' ' A' ' 48' ' ' LEU . . . -112.03 25.08 11.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.909 0.385 . . . . 0.0 111.098 -175.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.6 t -64.17 -26.16 68.4 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.743 -178.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.8 mtp180 72.9 166.5 0.3 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.462 0.705 . . . . 0.0 111.482 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -147.43 17.42 1.17 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.39 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.88 -44.26 71.3 Favored Glycine 0 CA--C 1.522 0.521 0 CA-C-N 115.407 -0.815 . . . . 0.0 115.077 -171.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 15.7 tpt -149.22 128.22 12.69 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 117.699 0.75 . . . . 0.0 111.026 -171.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.455 ' O ' HG22 ' A' ' 23' ' ' VAL . 89.2 mt -56.34 -45.42 80.41 Favored 'General case' 0 C--N 1.332 -0.174 0 O-C-N 123.148 0.28 . . . . 0.0 111.719 -178.637 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -57.16 -30.4 64.44 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.708 0.29 . . . . 0.0 111.443 178.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.687 HD11 HG21 ' A' ' 59' ' ' VAL . 4.0 mm? -79.71 -55.53 4.94 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 176.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.32 -45.38 65.56 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.668 -176.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.531 HG23 HG13 ' A' ' 24' ' ' VAL . 34.0 m -70.57 -21.29 22.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -173.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.543 HG21 ' HB2' ' A' ' 81' ' ' ASN . 32.5 m -107.58 3.67 9.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.456 -0.498 . . . . 0.0 111.826 -177.087 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 21' ' ' LEU . 70.7 mt -103.84 -53.08 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 179.128 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.519 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 1.3 tmt? -56.64 -54.69 51.07 Favored Pre-proline 0 CA--C 1.54 0.588 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -171.519 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.519 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 58.7 Cg_endo -74.11 -25.87 13.39 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 121.492 1.462 . . . . 0.0 111.989 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.582 ' HZ ' ' HB3' ' A' ' 76' ' ' LYS . 78.6 t80 -69.32 -36.19 76.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.549 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -58.37 -38.87 78.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.879 0.371 . . . . 0.0 110.003 176.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -65.3 -41.63 93.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.502 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -70.6 -52.02 24.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.463 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.5 t -74.86 -20.8 59.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.199 -170.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -55.58 -36.04 66.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.96 0.409 . . . . 0.0 110.753 176.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -62.52 -32.32 73.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.254 177.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.1 t -92.68 -35.42 13.5 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.106 -176.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 78.7 mt -83.92 171.16 13.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.628 0.728 . . . . 0.0 111.868 -174.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.1 p -119.06 168.43 10.84 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.803 174.098 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -60.83 -33.79 73.57 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -177.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.4 m -54.9 -44.42 74.14 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.035 0.445 . . . . 0.0 110.887 175.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -71.71 -41.83 68.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.385 0.612 . . . . 0.0 110.31 177.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.523 ' O ' HG23 ' A' ' 45' ' ' VAL . 48.1 mt-30 -62.7 -37.87 88.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.399 -178.681 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -56.89 -45.79 82.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.192 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -62.48 -40.17 95.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.028 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -65.47 -44.37 87.4 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.113 176.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 41' ' ' GLN . 93.0 t -63.32 -45.62 97.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.1 -179.039 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.36 -34.29 73.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.969 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 33.7 tp -62.91 -40.86 98.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.632 177.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.434 ' HB3' ' O ' ' A' ' 13' ' ' ALA . 89.6 mt -59.54 -33.02 70.87 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.295 0.479 . . . . 0.0 112.295 -173.229 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -78.07 -14.52 59.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.233 0.539 . . . . 0.0 110.592 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.4 t -97.68 -154.72 0.46 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.435 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 1.4 t0 -123.14 171.79 9.05 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 177.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.519 ' O ' ' HB2' ' A' ' 56' ' ' PHE . 8.0 m-20 -124.5 66.62 45.94 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.979 -173.387 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.435 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 4.8 Cg_exo -76.38 -56.46 0.05 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.906 1.738 . . . . 0.0 111.832 -177.367 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.501 ' O ' ' HD1' ' A' ' 58' ' ' TRP . 5.7 p-10 -70.47 -41.09 73.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.777 178.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.507 HD22 HG21 ' A' ' 74' ' ' VAL . 91.1 mt -65.58 -36.96 85.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.874 -176.595 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.519 ' HB2' ' O ' ' A' ' 52' ' ' ASP . 32.8 t80 -56.58 -36.99 69.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.252 0.549 . . . . 0.0 110.044 173.439 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.56 ' HB1' ' O ' ' A' ' 62' ' ' HIS . . . -71.35 -31.2 67.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.172 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.501 ' HD1' ' O ' ' A' ' 54' ' ' ASP . 22.7 m95 -63.31 -45.29 92.04 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.822 0.344 . . . . 0.0 110.531 176.285 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.687 HG21 HD11 ' A' ' 21' ' ' LEU . 40.2 t -63.21 -37.68 80.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.295 0.569 . . . . 0.0 110.342 178.416 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.2 mmt -79.14 -7.67 58.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.215 179.191 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.6 26.28 43.24 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.314 -0.47 . . . . 0.0 113.821 171.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.56 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 2.3 m-70 -154.66 83.16 1.1 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 117.191 0.495 . . . . 0.0 111.528 179.062 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 174.14 151.71 8.5 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 119.622 -1.275 . . . . 0.0 113.349 176.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.419 ' C ' ' HE1' ' A' ' 58' ' ' TRP . 45.6 mtm180 -103.44 175.06 5.6 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 174.329 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 21.0 t -125.99 156.02 40.5 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.583 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -68.46 -43.76 76.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.059 0.457 . . . . 0.0 110.084 177.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -140.2 128.91 23.09 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.134 178.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 58.6 mt -73.81 -11.25 60.32 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -169.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.86 -47.69 84.37 Favored Glycine 0 C--N 1.324 -0.127 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.836 176.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.451 ' O ' HG23 ' A' ' 74' ' ' VAL . 74.0 mt -63.88 -47.21 81.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.071 0.463 . . . . 0.0 110.154 175.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.62 -28.41 68.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.074 -177.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.19 -50.84 70.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.691 0.282 . . . . 0.0 111.393 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -28.05 61.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.747 0.308 . . . . 0.0 110.725 179.373 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.507 HG21 HD22 ' A' ' 55' ' ' LEU . 73.7 t -65.92 -36.64 78.0 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.353 174.696 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -54.84 -41.99 71.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.596 177.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.594 ' HE2' ' HA ' ' A' ' 76' ' ' LYS . 8.2 mmpt? -58.97 -40.01 83.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.693 177.4 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.8 mt -69.97 -46.96 71.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.525 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.525 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 93.1 t -60.53 -43.87 95.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.832 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.98 -35.45 75.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.908 0.385 . . . . 0.0 110.806 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -71.27 -36.47 71.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.034 0.445 . . . . 0.0 109.875 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.543 ' HB2' HG21 ' A' ' 24' ' ' VAL . 21.1 t-20 -67.85 -39.39 83.81 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.807 177.621 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 89.4 mt -55.84 -33.12 64.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.474 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.48 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 32.0 m -66.01 -47.26 75.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.576 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.424 ' HE2' ' HB2' ' A' ' 84' ' ' LYS . 6.2 ptmm? -69.98 -26.03 63.89 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.263 178.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 53.2 t -73.44 -46.13 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.74 177.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' ' 83' ' ' SER . 36.4 ptt180 -69.69 -19.36 63.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.633 -179.101 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.6 tp -74.35 -23.41 59.02 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.515 177.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 . . . . . 0 N--CA 1.468 0.441 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.353 178.169 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.478 0.97 0 CA-C-O 120.905 0.383 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -133.4 99.96 4.68 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 176.299 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.533 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 24.5 p -85.74 -178.64 6.67 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.177 -176.287 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.04 -39.72 72.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.699 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -60.9 -44.5 97.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.974 0.416 . . . . 0.0 110.641 178.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -69.64 -32.01 70.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 3' ' ' THR . 34.5 mmtp -56.54 -41.36 76.67 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.023 0.439 . . . . 0.0 110.366 177.191 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.03 -45.07 74.96 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.439 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -61.96 -41.36 97.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.934 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 87.6 mt -64.23 -45.6 95.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.584 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.611 ' HA ' ' SG ' ' A' ' 14' ' ' CYS . 54.6 mtmt -66.3 -35.38 80.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.294 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.6 m0 -60.39 -33.88 73.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.661 174.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.416 ' O ' ' HB3' ' A' ' 48' ' ' LEU . . . -92.38 -2.29 56.45 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.327 -0.397 . . . . 0.0 112.064 -177.191 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.611 ' SG ' ' HA ' ' A' ' 11' ' ' LYS . 84.4 m -70.83 -24.89 62.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.408 0.623 . . . . 0.0 110.366 177.272 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 15' ' ' ARG . 56.0 mtt180 -91.83 -164.63 1.21 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.906 179.185 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 75.5 142.38 0.07 Allowed 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.612 0.57 . . . . 0.0 110.096 -178.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.68 -63.22 4.49 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.974 177.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.599 ' SD ' ' HG ' ' A' ' 21' ' ' LEU . 18.2 ttt -131.83 127.39 36.5 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.136 0.493 . . . . 0.0 111.638 -174.498 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.6 mt -75.65 -37.89 59.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.345 -176.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.403 ' HB2' ' CE ' ' A' ' 18' ' ' MET . 6.8 mp0 -64.92 -27.92 69.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 0.0 110.722 179.154 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.599 ' HG ' ' SD ' ' A' ' 18' ' ' MET . 20.8 mt -68.64 -39.15 80.86 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.75 179.151 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.84 -45.48 59.73 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.241 -0.436 . . . . 0.0 112.015 179.009 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.3 m -83.72 -10.6 11.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -173.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.405 HG22 ' HA ' ' A' ' 21' ' ' LEU . 33.7 m -110.53 -33.76 2.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -177.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 68.5 mt -63.77 -41.93 94.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -176.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.665 ' HB2' ' HD3' ' A' ' 27' ' ' PRO . 72.5 mtm -61.78 -53.94 55.92 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-O 119.388 -0.339 . . . . 0.0 111.657 -178.217 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.665 ' HD3' ' HB2' ' A' ' 26' ' ' MET . 46.0 Cg_exo -58.72 -41.47 63.12 Favored 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 122.151 1.901 . . . . 0.0 112.627 176.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -64.82 -37.06 86.34 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.78 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -61.49 -43.82 98.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.368 177.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.55 ' HG3' ' O ' ' A' ' 26' ' ' MET . 26.6 mt-10 -56.28 -41.09 75.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.294 0.569 . . . . 0.0 110.686 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -74.7 -51.39 14.42 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.798 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 58.0 m -77.23 -22.97 51.43 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -170.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -54.35 -39.12 66.81 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.777 0.322 . . . . 0.0 111.498 -178.171 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -69.73 -22.37 63.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.615 -178.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.9 m -99.58 -34.62 10.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.795 -175.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.9 mt -76.79 139.72 40.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.13 0.49 . . . . 0.0 111.843 -173.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.2 p -85.69 174.53 9.32 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.925 173.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -56.83 -46.99 81.32 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 111.476 0.176 . . . . 0.0 111.476 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.8 m -58.78 -45.24 90.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.742 0.306 . . . . 0.0 111.259 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.427 ' HB3' ' SD ' ' A' ' 73' ' ' MET . 44.8 mt-10 -65.34 -42.88 92.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.427 0.632 . . . . 0.0 110.151 177.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.445 ' O ' HG23 ' A' ' 45' ' ' VAL . 35.6 mt-30 -60.25 -40.3 89.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.333 177.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -61.2 -46.14 91.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.605 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.436 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 2.1 m-20 -67.49 -32.55 73.44 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.727 178.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -63.98 -45.7 87.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.26 177.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 41' ' ' GLN . 74.1 t -64.78 -41.05 91.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.167 177.577 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.43 -33.1 70.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.562 176.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 43' ' ' ASP . 72.2 mt -65.65 -38.17 88.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.034 177.142 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.466 HD22 ' HA ' ' A' ' 14' ' ' CYS . 88.1 mt -66.44 -27.38 67.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.255 0.55 . . . . 0.0 110.978 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -76.17 -13.71 60.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.937 177.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.4 m -102.02 171.33 7.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.195 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.651 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 0.7 OUTLIER -79.5 -169.34 1.87 Allowed 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 176.061 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.571 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 5.6 p-10 -116.02 48.11 0.59 Allowed Pre-proline 0 CA--C 1.545 0.776 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -175.507 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.651 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 7.0 Cg_endo -89.51 -49.1 0.03 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 121.539 1.493 . . . . 0.0 111.326 177.14 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.448 ' H ' ' HD2' ' A' ' 53' ' ' PRO . 6.4 m-20 -66.45 -39.56 88.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.363 177.174 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.456 ' O ' HG23 ' A' ' 59' ' ' VAL . 95.9 mt -60.99 -50.39 73.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.516 179.229 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -58.85 -46.3 88.07 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.473 0.654 . . . . 0.0 110.786 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.452 ' HB1' ' CA ' ' A' ' 63' ' ' GLY . . . -68.97 -35.97 77.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.704 -172.675 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -75.98 -30.75 58.7 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.726 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 55' ' ' LEU . 69.9 t -66.12 -40.36 86.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.622 0.249 . . . . 0.0 110.58 176.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.8 ptm -78.82 -21.25 47.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.039 0.447 . . . . 0.0 110.306 177.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.05 35.04 10.09 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.984 176.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -128.18 -3.09 5.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.107 0.48 . . . . 0.0 110.639 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.452 ' CA ' ' HB1' ' A' ' 57' ' ' ALA . . . -94.78 160.71 23.44 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.291 -0.957 . . . . 0.0 112.616 -176.212 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -129.02 140.58 51.56 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 49.7 t -149.67 122.43 8.67 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 177.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -67.08 -33.29 75.18 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.033 -175.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -82.61 95.49 7.8 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 50.0 mt -72.11 -14.5 61.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.901 -178.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.82 -47.14 92.7 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 169.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 66.6 mt -62.47 -41.37 98.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.232 0.539 . . . . 0.0 110.326 174.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.07 -24.41 66.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.828 -178.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.497 ' O ' ' HG2' ' A' ' 76' ' ' LYS . . . -57.44 -50.34 73.34 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.249 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.427 ' SD ' ' HB3' ' A' ' 40' ' ' GLU . 2.9 mpp? -68.98 -30.1 68.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.737 0.303 . . . . 0.0 110.948 179.055 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.488 ' O ' HG23 ' A' ' 78' ' ' VAL . 58.2 t -65.37 -42.55 93.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 176.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -58.89 -38.49 78.97 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.867 178.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 25.7 mmmt -59.49 -40.86 88.38 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.824 177.311 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 73.4 mt -71.26 -46.38 65.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.691 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.659 ' HA ' ' OD1' ' A' ' 81' ' ' ASN . 89.6 t -55.53 -47.32 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.397 -178.145 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.35 -38.59 80.76 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.125 0.488 . . . . 0.0 110.843 179.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -71.73 -46.88 57.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.938 -177.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.659 ' OD1' ' HA ' ' A' ' 78' ' ' VAL . 1.2 p-10 -70.81 -39.63 72.97 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.272 -176.478 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 82' ' ' LEU . 23.4 mt -61.78 -32.29 72.55 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.769 0.318 . . . . 0.0 111.025 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.4 t -64.22 -46.54 83.41 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.785 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.604 ' HG2' ' O ' ' A' ' 81' ' ' ASN . 14.4 ptmm? -70.04 -25.91 63.78 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.554 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 81' ' ' ASN . 70.2 t -70.24 -38.91 76.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.063 0.459 . . . . 0.0 110.072 178.154 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -70.32 -34.65 72.95 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.256 174.611 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 57.2 tp -66.78 -60.97 2.21 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.391 -178.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -179.683 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.959 0.409 . . . . 0.0 110.763 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.608 ' CD1' ' HG2' ' A' ' 6' ' ' GLN . 23.2 m-85 -107.81 124.29 49.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.064 177.341 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.8 p -111.01 -165.74 1.02 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.823 -176.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.32 -31.18 70.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.595 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.24 -42.09 94.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.065 0.46 . . . . 0.0 110.069 176.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.608 ' HG2' ' CD1' ' A' ' 2' ' ' TYR . 2.5 mp0 -69.21 -38.03 78.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.156 177.238 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.412 ' HB3' ' HE2' ' A' ' 7' ' ' LYS . 43.4 mtpt -61.47 -34.37 75.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.889 176.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.444 ' O ' ' HD1' ' A' ' 12' ' ' TRP . . . -62.63 -41.73 99.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.746 0.308 . . . . 0.0 110.932 178.304 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -62.45 -36.09 81.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.146 0.498 . . . . 0.0 109.719 178.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.2 mt -70.81 -42.61 77.45 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.449 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.216 176.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.6 tptt -52.58 -38.32 59.77 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.589 0.756 . . . . 0.0 112.084 -177.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.444 ' HD1' ' O ' ' A' ' 8' ' ' ALA . 38.8 m95 -72.1 -28.43 63.29 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.63 3.31 12.37 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -172.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 23.3 p -70.02 -26.8 64.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.809 0.338 . . . . 0.0 111.215 -175.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.5 ptt-85 -87.99 -3.17 58.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.396 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 56.62 -86.02 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 O-C-N 123.999 0.812 . . . . 0.0 110.966 -177.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.7 17.22 0.17 Allowed Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 175.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 44.7 tpp -136.98 118.01 14.32 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -174.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.7 mp -66.97 -23.26 65.93 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.082 -176.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -66.4 -24.21 66.43 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.826 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.406 ' HA ' HG12 ' A' ' 24' ' ' VAL . 87.1 mt -99.03 -18.13 17.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.817 -174.219 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -55.67 -44.42 77.24 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.069 0.461 . . . . 0.0 111.04 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.9 m -76.59 -14.93 14.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.652 -0.703 . . . . 0.0 112.609 -174.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.406 HG12 ' HA ' ' A' ' 21' ' ' LEU . 7.2 p -101.97 -21.2 5.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.021 -178.633 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 73.1 mt -94.46 -60.91 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.595 -178.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.605 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 28.3 ttt -66.36 -53.26 32.04 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 113.315 0.858 . . . . 0.0 113.315 -169.523 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.605 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 52.4 Cg_exo -57.17 -42.31 64.64 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.904 1.736 . . . . 0.0 112.444 -178.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -69.07 -36.62 77.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.526 178.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -62.96 -43.62 98.3 Favored 'General case' 0 C--O 1.214 -0.813 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.569 176.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -63.61 -34.55 78.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.139 0.495 . . . . 0.0 111.117 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -66.5 -51.51 55.89 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.972 176.095 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.508 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 33.4 m -75.81 -23.76 55.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.545 -176.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -54.86 -36.68 65.34 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 123.665 0.786 . . . . 0.0 111.853 -177.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -66.39 -22.51 66.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.043 0.449 . . . . 0.0 110.893 -178.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.3 t -101.02 -34.62 9.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.028 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 96.8 mt -65.79 152.96 43.17 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.278 0.561 . . . . 0.0 112.053 -176.063 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.0 p -104.66 173.81 6.15 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.051 176.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -60.7 -37.22 80.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.593 0.235 . . . . 0.0 111.17 -178.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.9 m -57.58 -41.32 80.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.887 0.375 . . . . 0.0 110.729 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -69.96 -47.51 62.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.52 0.676 . . . . 0.0 110.01 177.294 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.494 ' O ' HG23 ' A' ' 45' ' ' VAL . 51.4 mt-30 -58.16 -43.88 87.63 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.615 -1.175 . . . . 0.0 111.951 -177.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -67.12 -40.8 86.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.057 0.456 . . . . 0.0 111.062 -174.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -66.43 -42.09 88.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.737 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -68.18 -42.46 79.91 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.419 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 41' ' ' GLN . 77.6 t -61.83 -40.34 86.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.803 0.335 . . . . 0.0 110.233 177.637 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.8 -35.51 70.93 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.833 176.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.575 HD12 HD22 ' A' ' 70' ' ' LEU . 6.0 tt -66.57 -45.58 78.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.137 177.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.26 -28.49 70.06 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.965 0.412 . . . . 0.0 111.836 -177.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 45' ' ' VAL . 41.6 mt-10 -74.26 -21.41 59.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.206 0.527 . . . . 0.0 110.234 177.51 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.2 m -99.91 174.44 6.19 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.367 178.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.575 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 3.5 m-20 -71.91 158.42 36.07 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 175.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.506 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 7.2 p-10 -119.02 52.58 1.8 Allowed Pre-proline 0 CA--C 1.54 0.558 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -171.188 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.575 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 3.3 Cg_exo -76.95 -35.18 1.93 Allowed 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.348 1.365 . . . . 0.0 110.447 175.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -66.3 -44.12 84.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.205 177.274 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.445 ' O ' HG23 ' A' ' 59' ' ' VAL . 7.9 tt -59.02 -49.82 76.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.031 -178.611 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -62.67 -41.36 99.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.61 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.562 ' HB1' ' HA3' ' A' ' 63' ' ' GLY . . . -66.37 -38.21 87.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.891 -176.569 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.43 ' HZ2' ' H ' ' A' ' 65' ' ' CYS . 17.9 m95 -70.9 -35.9 72.5 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.896 -0.321 . . . . 0.0 111.689 -179.341 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 55' ' ' LEU . 87.2 t -65.19 -43.38 95.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.466 178.464 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 22.3 ttt -78.85 -15.09 58.82 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 121.016 0.436 . . . . 0.0 110.685 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.31 38.64 21.22 Favored Glycine 0 CA--C 1.518 0.233 0 C-N-CA 121.198 -0.525 . . . . 0.0 112.77 176.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 50.2 m170 -126.83 2.45 6.67 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.584 0.216 . . . . 0.0 111.584 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.562 ' HA3' ' HB1' ' A' ' 57' ' ' ALA . . . -126.73 158.65 20.82 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 119.809 -1.186 . . . . 0.0 113.865 -171.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.445 ' HD2' ' C ' ' A' ' 63' ' ' GLY . 6.3 mpt_? -131.13 143.14 50.42 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 174.619 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.43 ' H ' ' HZ2' ' A' ' 58' ' ' TRP . 25.5 p -111.61 157.27 20.61 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.496 -177.359 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -73.69 -37.69 65.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.156 0.503 . . . . 0.0 110.057 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -104.25 110.21 22.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.366 177.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 28.0 mt -74.7 -10.53 59.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.919 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.38 -38.61 94.99 Favored Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 171.036 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.575 HD22 HD12 ' A' ' 47' ' ' LEU . 69.4 mt -68.55 -32.9 73.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.278 0.561 . . . . 0.0 110.705 176.234 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.99 -24.49 64.23 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.662 178.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.18 -53.8 52.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.999 -177.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.476 ' SD ' ' HA ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -73.41 -28.51 62.04 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.945 -178.614 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.468 ' O ' HG23 ' A' ' 78' ' ' VAL . 78.8 t -65.66 -41.25 90.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.853 0.359 . . . . 0.0 110.274 175.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -64.14 -34.25 77.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.008 0.432 . . . . 0.0 110.112 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -65.31 -35.52 81.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.385 175.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 73' ' ' MET . 79.0 mt -65.98 -40.27 86.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.106 0.479 . . . . 0.0 109.747 173.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 74' ' ' VAL . 66.2 t -61.32 -35.2 64.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.503 175.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.99 -36.34 81.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.019 0.438 . . . . 0.0 110.915 177.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -71.32 -40.75 70.59 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 176.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.497 ' O ' HG23 ' A' ' 85' ' ' VAL . 48.9 t-20 -62.33 -38.75 90.64 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.836 177.422 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 29.0 tp -54.67 -36.59 64.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.945 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.474 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 26.1 t -71.1 -40.67 71.35 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.306 -178.324 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.418 ' HG2' ' HA ' ' A' ' 81' ' ' ASN . 11.6 ptmt -70.15 -27.22 64.38 Favored 'General case' 0 C--N 1.334 -0.106 0 C-N-CA 119.842 -0.743 . . . . 0.0 109.974 176.542 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 81' ' ' ASN . 73.9 t -65.93 -54.08 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 175.578 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.474 ' HG2' ' O ' ' A' ' 83' ' ' SER . 36.8 ptt180 -62.04 -22.34 65.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.953 0.406 . . . . 0.0 110.848 -179.315 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 54.1 tp -84.15 -56.03 3.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.671 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 . . . . . 0 C--N 1.331 -0.217 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -174.279 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.9 mtt . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.739 0.304 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.714 ' HA ' ' OE1' ' A' ' 6' ' ' GLN . 76.9 m-85 -100.94 113.73 26.96 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.099 0.476 . . . . 0.0 110.381 178.009 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.6 p -91.57 -177.02 4.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.017 -172.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.67 -34.64 67.56 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.96 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -62.79 -49.19 75.95 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 121.352 0.596 . . . . 0.0 110.102 177.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.714 ' OE1' ' HA ' ' A' ' 2' ' ' TYR . 86.3 mt-30 -69.68 -30.52 68.2 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.447 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 43.0 mttm -54.1 -44.24 71.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.794 -0.184 . . . . 0.0 110.97 177.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.28 -42.68 71.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.966 0.412 . . . . 0.0 110.666 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -64.76 -38.75 92.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.322 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 88.5 mt -72.0 -42.19 68.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.3 175.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.55 ' HE3' ' SD ' ' A' ' 26' ' ' MET . 80.3 tttt -55.11 -40.96 71.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.729 178.256 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -71.24 -30.91 66.91 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.266 177.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.98 -52.42 24.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.793 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.577 ' HB3' HD13 ' A' ' 48' ' ' LEU . 17.2 p -68.0 -25.75 65.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.045 -179.338 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.629 ' HG3' ' HB2' ' A' ' 22' ' ' ASP . 62.6 ttt-85 -61.46 -33.2 73.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.023 174.462 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.595 ' HG3' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER 61.22 -164.04 0.25 Allowed 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.367 176.002 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -93.92 2.51 69.4 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.904 175.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.4 ptp -124.59 131.39 53.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.058 0.456 . . . . 0.0 110.381 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.7 mt -69.77 -24.97 63.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.649 -169.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -61.59 -33.85 74.6 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.141 0.422 . . . . 0.0 112.141 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.595 HD12 ' HG3' ' A' ' 16' ' ' ARG . 53.8 mt -74.74 -26.81 60.04 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.528 -178.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.629 ' HB2' ' HG3' ' A' ' 15' ' ' ARG . 23.3 t70 -65.68 -31.05 71.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.423 0.63 . . . . 0.0 110.01 174.315 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.0 t -74.03 -24.91 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.283 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.548 HG22 ' HE2' ' A' ' 84' ' ' LYS . 47.9 t -109.82 -56.99 4.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -172.364 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.3 mt -79.14 -35.1 17.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.653 -0.248 . . . . 0.0 111.625 -170.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.55 ' SD ' ' HE3' ' A' ' 11' ' ' LYS . 16.4 tmm? -58.83 -53.39 66.86 Favored Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.491 -177.329 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' A' ' 26' ' ' MET . 39.0 Cg_endo -67.77 -27.13 38.09 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 121.457 1.438 . . . . 0.0 111.407 176.6 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -65.58 -38.92 90.91 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.127 178.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.46 ' HA ' ' HG ' ' A' ' 32' ' ' CYS . 47.0 t80 -57.48 -41.36 80.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.866 0.365 . . . . 0.0 110.739 178.009 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.75 -46.17 79.82 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.315 178.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -69.02 -51.29 40.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.106 -178.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.633 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 30.0 p -63.66 -39.56 94.64 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.201 -173.441 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -52.92 -42.63 65.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.822 0.344 . . . . 0.0 111.245 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -70.79 -21.8 62.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.095 0.474 . . . . 0.0 111.395 -178.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.9 t -104.82 -16.84 14.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.896 -173.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 37.2 mt -104.95 171.98 7.03 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.364 0.602 . . . . 0.0 111.268 -175.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 37.7 p -88.06 166.25 14.58 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.354 171.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.9 -34.75 78.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.255 0.55 . . . . 0.0 110.229 177.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 m -57.41 -50.06 74.22 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.852 176.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.424 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . 37.7 mt-10 -61.85 -42.63 99.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.28 177.103 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.508 ' O ' HG23 ' A' ' 45' ' ' VAL . 1.7 tt0 -57.22 -42.52 81.53 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.406 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.01 -45.43 92.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.136 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.25 -39.42 82.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.722 178.168 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -68.41 -40.15 81.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.796 178.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 41' ' ' GLN . 87.0 t -66.01 -43.0 92.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.572 178.01 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.12 -36.33 70.54 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.645 HD21 ' HB3' ' A' ' 70' ' ' LEU . 76.2 mt -62.98 -50.94 68.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.868 175.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.577 HD13 ' HB3' ' A' ' 14' ' ' CYS . 87.1 mt -66.44 -23.06 66.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.865 -175.018 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -75.15 -13.43 60.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.936 0.398 . . . . 0.0 110.932 177.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.7 m -96.53 -168.62 1.76 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 173.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.569 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 19.0 t70 -98.58 155.91 17.06 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 170.591 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.538 ' OD2' ' HD2' ' A' ' 16' ' ' ARG . 35.8 m-20 -113.93 54.48 0.66 Allowed Pre-proline 0 N--CA 1.472 0.65 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 -170.687 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.569 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 2.7 Cg_exo -77.47 -29.95 4.39 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.428 1.419 . . . . 0.0 109.934 169.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -69.02 -47.3 65.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.19 177.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.5 HD21 HG21 ' A' ' 77' ' ' ILE . 7.1 tt -60.86 -49.07 78.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.735 -179.366 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -62.65 -30.77 71.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.097 0.475 . . . . 0.0 110.349 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.77 -45.04 83.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.309 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.546 ' HB2' HG11 ' A' ' 74' ' ' VAL . 27.1 m95 -65.26 -30.6 71.49 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.212 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 55' ' ' LEU . 62.3 t -64.79 -34.04 67.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.012 0.434 . . . . 0.0 110.217 176.364 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 68.5 mtm -88.95 -22.34 23.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.285 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.14 53.72 0.69 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 121.039 -0.6 . . . . 0.0 112.75 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -145.13 92.8 2.3 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -98.09 -125.38 5.22 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.78 -0.645 . . . . 0.0 113.28 -177.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 69.18 25.54 5.7 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.428 0.691 . . . . 0.0 111.721 -176.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 97.7 m -75.24 163.59 27.35 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.14 176.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -59.08 -50.24 74.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.446 -175.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -117.08 116.63 27.7 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.352 -169.169 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.1 mt -75.8 -22.48 56.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.734 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.81 -42.53 99.67 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.795 -0.717 . . . . 0.0 111.501 175.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.645 ' HB3' HD21 ' A' ' 47' ' ' LEU . 96.6 mt -68.82 -35.68 77.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.943 0.401 . . . . 0.0 110.052 174.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.64 -29.73 70.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.03 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.498 ' O ' ' HG3' ' A' ' 76' ' ' LYS . . . -65.08 -29.56 70.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.225 176.146 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 24.4 mmt -73.02 -36.54 67.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.606 176.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.546 HG11 ' HB2' ' A' ' 58' ' ' TRP . 46.5 t -67.54 -36.66 76.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.854 175.428 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -54.82 -39.87 68.97 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.622 175.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.498 ' HG3' ' O ' ' A' ' 72' ' ' ALA . 65.4 mttm -69.43 -36.82 77.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.75 177.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.5 HG21 HD21 ' A' ' 55' ' ' LEU . 47.0 mm -59.38 -48.28 87.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 174.1 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 74' ' ' VAL . 59.0 t -64.04 -35.78 74.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.722 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.18 -42.8 99.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.321 . . . . 0.0 111.241 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -66.07 -42.93 88.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.239 0.543 . . . . 0.0 109.634 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.421 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 4.5 t30 -65.95 -36.32 83.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.047 177.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.442 ' O ' HD23 ' A' ' 82' ' ' LEU . 5.0 tt -54.76 -35.68 64.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.48 -177.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.433 ' HA ' ' HG2' ' A' ' 86' ' ' ARG . 14.4 m -64.17 -49.29 72.66 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.463 -178.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.548 ' HE2' HG22 ' A' ' 24' ' ' VAL . 21.1 pttp -69.95 -22.8 63.14 Favored 'General case' 0 N--CA 1.461 0.104 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.626 -178.659 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 93.2 t -79.98 -42.16 21.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.761 176.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.433 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 32.9 ptt180 -74.35 -21.79 59.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.895 -177.233 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.443 ' O ' HD23 ' A' ' 87' ' ' LEU . 6.3 tt -64.7 -33.57 76.26 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 172.736 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.303 178.049 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 120.961 0.41 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -84.27 145.46 28.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.033 -178.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.2 p -118.53 158.72 24.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.12 0.486 . . . . 0.0 111.865 -174.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.503 ' O ' ' HB2' ' A' ' 7' ' ' LYS . . . -65.62 -29.38 69.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.566 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.84 -39.94 90.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.311 0.577 . . . . 0.0 110.082 177.238 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -66.26 -29.6 69.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.347 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.503 ' HB2' ' O ' ' A' ' 4' ' ' ALA . 25.2 mtpp -56.69 -39.69 74.26 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.914 0.387 . . . . 0.0 110.444 174.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.08 -36.55 84.69 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.492 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -62.98 -34.02 76.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.362 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.4 mt -71.52 -43.99 71.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.985 175.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -57.35 -38.52 74.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.365 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -70.79 -22.82 62.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.496 178.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.72 22.88 14.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.691 -174.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.8 p -67.83 -25.89 65.79 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.716 0.294 . . . . 0.0 110.677 178.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.2 mtt180 75.71 134.77 0.05 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.265 -0.879 . . . . 0.0 112.598 175.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -71.17 -23.1 61.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.008 175.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.0 -20.71 74.93 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.162 177.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.573 ' HB3' ' HB3' ' A' ' 21' ' ' LEU . 1.5 mpt? -101.12 72.41 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.154 0.502 . . . . 0.0 109.826 177.029 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.92 -56.31 12.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.645 -172.665 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.0 mp0 -71.53 -31.38 66.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.052 0.454 . . . . 0.0 110.779 -179.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.573 ' HB3' ' HB3' ' A' ' 18' ' ' MET . 5.3 tp -68.29 -38.02 81.24 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.275 -176.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -51.59 -38.21 53.5 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.648 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.9 t -71.17 -37.27 65.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.651 -176.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.554 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 35.7 m -91.77 -27.62 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -172.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 21' ' ' LEU . 65.9 mt -59.08 -42.38 86.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -175.591 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.706 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 42.5 tpp -57.09 -53.66 62.93 Favored Pre-proline 0 CA--C 1.542 0.669 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -172.29 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.706 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 2.8 Cg_exo -78.45 -32.63 2.15 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 122.124 1.883 . . . . 0.0 112.666 177.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -67.72 -36.65 81.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.854 -0.157 . . . . 0.0 110.8 -178.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.603 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 87.5 t80 -56.76 -44.68 82.01 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.783 0.325 . . . . 0.0 110.23 177.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -57.67 -45.21 85.87 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.159 178.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -72.87 -35.61 67.2 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.837 -177.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.603 ' SG ' ' HA ' ' A' ' 29' ' ' PHE . 28.2 p -75.98 -34.01 59.76 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.282 178.636 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -62.32 -36.35 81.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.166 0.507 . . . . 0.0 110.476 177.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -63.22 -28.1 69.81 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.276 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.3 t -97.65 -44.8 6.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.217 -176.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 51.4 mt -75.49 144.44 42.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.626 0.25 . . . . 0.0 110.91 -176.034 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -94.39 -178.49 4.6 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 173.432 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -54.57 -43.51 72.14 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -176.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.5 m -57.88 -51.57 69.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.955 0.407 . . . . 0.0 111.408 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.2 mp0 -70.28 -41.52 73.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.187 -178.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.432 ' O ' HG23 ' A' ' 45' ' ' VAL . 8.4 tt0 -62.37 -40.97 98.18 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.156 -178.399 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -62.89 -40.88 98.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.36 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -59.61 -43.18 93.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.111 177.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.489 ' HD1' ' SD ' ' A' ' 73' ' ' MET . 64.1 t80 -64.84 -49.3 71.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.376 177.505 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 41' ' ' GLN . 90.9 t -64.49 -39.35 85.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.183 -178.512 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.49 -36.97 79.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.932 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.444 HD22 HD22 ' A' ' 70' ' ' LEU . 33.1 tp -67.82 -35.93 79.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.104 177.442 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 44' ' ' PHE . 86.7 mt -59.23 -31.23 68.86 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -176.051 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -78.74 -14.06 59.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.011 0.434 . . . . 0.0 111.185 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.0 t -96.25 -177.9 4.13 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 177.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -112.78 113.52 25.65 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 177.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.816 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -118.46 87.2 30.28 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 121.54 0.686 . . . . 0.0 111.727 -176.115 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -68.04 -27.26 36.3 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.633 2.222 . . . . 0.0 110.5 173.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.516 ' O ' ' HD1' ' A' ' 58' ' ' TRP . 4.6 m-20 -65.11 -38.11 89.62 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.343 174.656 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.816 ' HB2' ' HB3' ' A' ' 52' ' ' ASP . 1.1 tt -58.04 -50.18 74.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.14 176.173 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -63.98 -34.64 78.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.222 176.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.556 ' HB1' ' O ' ' A' ' 62' ' ' HIS . . . -63.39 -39.94 95.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.511 179.416 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.516 ' HD1' ' O ' ' A' ' 54' ' ' ASP . 17.1 m95 -64.74 -37.28 87.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 110.806 177.482 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.2 t -65.9 -39.57 85.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.428 176.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 86.6 mmm -75.65 -21.26 57.84 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.762 0.315 . . . . 0.0 111.34 176.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.75 27.13 22.8 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 121.105 -0.569 . . . . 0.0 112.656 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.556 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 94.7 m-70 -145.99 77.31 1.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.883 0.342 . . . . 0.0 111.064 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -179.52 163.92 31.61 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 119.897 -1.144 . . . . 0.0 112.841 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 73.6 mtt-85 -127.17 138.42 53.14 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 35.7 t -89.34 146.96 24.35 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -177.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -69.11 -37.75 78.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.071 0.462 . . . . 0.0 110.286 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -138.06 118.13 13.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.904 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 31.1 mt -65.36 -14.9 61.89 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -173.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.43 -44.18 98.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.584 -0.817 . . . . 0.0 111.271 173.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.444 HD22 HD22 ' A' ' 47' ' ' LEU . 37.9 mt -65.06 -42.19 94.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.291 0.567 . . . . 0.0 109.736 173.756 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.84 -23.87 67.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.487 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.58 -45.9 90.5 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.917 0.339 . . . . 0.0 111.917 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.489 ' SD ' ' HD1' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -75.4 -28.99 59.66 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.951 177.49 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.434 ' O ' HG23 ' A' ' 78' ' ' VAL . 78.8 t -65.1 -36.32 77.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 175.268 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -54.24 -41.88 69.24 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.576 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 80' ' ' HIS . 27.4 mmmt -66.55 -37.75 85.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.099 -179.641 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 63.7 mt -70.63 -40.43 77.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.495 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 74' ' ' VAL . 78.6 t -59.49 -47.93 89.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.17 -39.39 92.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.168 0.509 . . . . 0.0 110.629 178.136 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' A' ' 76' ' ' LYS . 0.4 OUTLIER -60.73 -48.43 81.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.632 179.673 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.45 ' O ' HG23 ' A' ' 85' ' ' VAL . 9.3 t30 -67.07 -40.52 87.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.684 178.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.4 tt -56.29 -43.22 78.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.017 0.437 . . . . 0.0 109.989 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.507 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 8.0 t -66.92 -44.81 79.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.48 -177.033 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -69.31 -22.55 63.78 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.05 -178.403 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 81' ' ' ASN . 73.8 t -79.66 -39.8 20.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.883 176.048 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' A' ' 83' ' ' SER . 40.3 ptt180 -73.7 -24.9 60.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.929 0.395 . . . . 0.0 111.003 -178.744 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 83' ' ' SER . 78.3 mt -70.45 -44.22 68.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.676 175.635 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 . . . . . 0 N--CA 1.464 0.232 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.439 -177.391 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.3 ttm . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 120.571 0.224 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -123.62 103.73 8.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.058 0.456 . . . . 0.0 110.966 177.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.5 p -104.75 -163.75 0.99 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.969 176.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.22 -35.83 78.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.621 0.248 . . . . 0.0 111.634 -177.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -60.3 -42.58 95.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.594 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -69.5 -36.35 76.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.396 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -60.35 -35.31 75.37 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.688 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . . . -64.65 -36.87 85.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.973 178.404 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -63.63 -36.3 83.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.133 0.492 . . . . 0.0 110.265 176.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.1 mt -70.61 -49.78 49.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.959 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.688 ' HG2' ' HA ' ' A' ' 8' ' ' ALA . 18.5 ptpt -60.84 -34.71 74.98 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.939 0.4 . . . . 0.0 111.419 -178.383 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -71.03 -22.49 62.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.566 177.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.77 -41.28 8.14 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -173.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.407 ' SG ' ' HA ' ' A' ' 11' ' ' LYS . 19.9 p -64.74 -26.3 68.3 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -173.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.505 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 93.5 mtt180 -90.35 -176.44 4.8 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.471 -176.734 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.505 ' HB2' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 75.49 138.98 0.06 Allowed 'General case' 0 N--CA 1.47 0.535 0 O-C-N 124.008 0.817 . . . . 0.0 111.091 -172.455 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.04 -65.13 3.94 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.382 -0.826 . . . . 0.0 112.176 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.5 ptt? -132.08 111.3 11.36 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.27 0.557 . . . . 0.0 110.627 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 84.0 mt -81.46 -27.29 34.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.521 -177.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -56.52 -44.88 81.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.623 -176.078 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.461 ' O ' HG13 ' A' ' 25' ' ' ILE . 4.4 mm? -64.0 -44.97 91.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.499 -176.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -56.29 -33.88 65.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.927 0.394 . . . . 0.0 111.443 -177.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.7 t -59.55 -37.96 72.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.843 -177.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.6 m -100.45 -25.03 3.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -176.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 21' ' ' LEU . 74.2 mt -67.67 -52.28 42.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 111.705 0.261 . . . . 0.0 111.705 -176.562 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.611 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 53.7 ttp -57.66 -53.49 65.09 Favored Pre-proline 0 CA--C 1.54 0.588 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -172.347 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.611 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 24.3 Cg_exo -63.89 -36.79 48.13 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.964 1.776 . . . . 0.0 112.371 -178.362 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -69.53 -40.89 76.63 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 177.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -58.9 -44.35 91.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.647 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -54.39 -45.12 72.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.081 0.467 . . . . 0.0 111.461 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -75.01 -45.5 41.41 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.761 178.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 35.1 t -65.09 -34.1 77.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.937 0.399 . . . . 0.0 111.079 -176.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -53.35 -35.54 60.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.831 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -58.27 -30.61 66.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.1 0.476 . . . . 0.0 110.802 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.2 t -98.26 -26.52 14.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.805 -178.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.1 mt -72.39 139.02 47.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.199 0.523 . . . . 0.0 110.873 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.4 p -91.28 169.54 10.73 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.016 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -50.71 -46.19 58.79 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.319 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.4 p -61.18 -49.49 76.99 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.616 -177.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -62.93 -47.0 85.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.585 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.444 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -59.96 -41.37 91.77 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.02 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -61.22 -45.07 96.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -62.04 -42.91 99.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.802 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.463 ' CZ ' HD11 ' A' ' 48' ' ' LEU . 35.2 t80 -62.54 -48.32 80.01 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.154 179.538 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 41' ' ' GLN . 87.7 t -60.75 -48.84 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.348 -178.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.26 -33.21 71.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.395 -177.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 1.023 HD22 HD13 ' A' ' 70' ' ' LEU . 17.3 tp -68.0 -40.95 82.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.888 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.463 HD11 ' CZ ' ' A' ' 44' ' ' PHE . 97.5 mt -69.81 -16.74 63.33 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -174.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -58.51 -35.07 71.68 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -168.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 39.4 m -152.69 113.45 4.13 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 122.082 -0.386 . . . . 0.0 111.75 172.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.0 t70 55.25 119.37 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 O-C-N 124.765 1.291 . . . . 0.0 113.435 175.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.727 ' CG ' ' HB2' ' A' ' 55' ' ' LEU . 4.1 t0 -114.04 85.85 10.65 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.043 178.284 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -77.5 -27.3 6.42 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.558 2.172 . . . . 0.0 111.674 177.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -65.23 -47.77 75.63 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 176.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.727 ' HB2' ' CG ' ' A' ' 52' ' ' ASP . 0.4 OUTLIER -58.97 -50.96 72.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.526 -1.216 . . . . 0.0 110.19 176.524 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -58.94 -47.34 85.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.067 -178.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.37 -34.25 77.55 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -175.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -81.58 -31.46 32.56 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.519 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.47 ' HA ' HG22 ' A' ' 78' ' ' VAL . 74.1 t -68.69 -39.7 80.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.042 0.449 . . . . 0.0 110.316 173.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 25.8 mmt -79.96 -14.35 58.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.135 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.52 45.68 10.76 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.076 -0.583 . . . . 0.0 113.253 176.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -123.89 -15.9 6.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.949 0.374 . . . . 0.0 111.473 176.053 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.56 115.04 0.05 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 114.867 0.707 . . . . 0.0 114.867 172.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -145.92 14.71 1.35 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.663 0.268 . . . . 0.0 110.928 173.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 19.9 t -101.68 123.33 45.49 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.463 -173.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -84.44 -34.35 23.49 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.557 -175.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -105.01 118.79 37.41 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.241 0.543 . . . . 0.0 110.959 -178.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.575 ' HA ' ' HB3' ' A' ' 71' ' ' ALA . 32.0 mt -72.49 -12.77 61.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.176 -177.335 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.77 -47.96 87.66 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.588 -0.815 . . . . 0.0 111.566 174.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.023 HD13 HD22 ' A' ' 47' ' ' LEU . 35.1 mt -72.22 -44.87 62.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.409 . . . . 0.0 110.731 174.225 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.575 ' HB3' ' HA ' ' A' ' 68' ' ' LEU . . . -57.11 -28.52 62.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.756 -178.505 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.22 -46.39 89.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.135 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.519 ' HG3' ' O ' ' A' ' 70' ' ' LEU . 3.4 ppp? -74.01 -28.79 61.62 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.144 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.448 ' O ' HG23 ' A' ' 78' ' ' VAL . 74.4 t -69.01 -41.2 81.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.933 0.397 . . . . 0.0 110.171 176.199 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -60.8 -34.38 74.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.546 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -59.04 -40.34 84.75 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.036 0.446 . . . . 0.0 110.31 175.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.5 mt -69.89 -43.33 79.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.156 177.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.47 HG22 ' HA ' ' A' ' 59' ' ' VAL . 67.6 t -61.5 -38.75 80.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.812 179.211 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.93 -36.7 82.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.96 177.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -71.58 -36.3 70.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.328 177.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.467 ' O ' HG23 ' A' ' 85' ' ' VAL . 64.0 t30 -70.08 -34.93 73.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.804 178.127 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 tt -53.95 -43.94 70.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.873 -176.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.649 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 11.9 p -67.97 -31.02 70.46 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.72 0.295 . . . . 0.0 110.879 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.52 ' HA ' HD12 ' A' ' 87' ' ' LEU . 27.4 mtpp -69.04 -33.82 74.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.051 0.453 . . . . 0.0 110.23 177.248 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 81' ' ' ASN . 60.9 t -67.49 -39.66 82.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.385 178.358 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 83' ' ' SER . 12.9 ptm180 -78.04 -23.3 48.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.703 -178.46 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.649 ' HG ' ' O ' ' A' ' 83' ' ' SER . 74.5 mt -61.5 -58.96 6.06 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.885 0.374 . . . . 0.0 110.244 174.658 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.363 178.826 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.8 ttp . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 120.705 0.288 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.417 ' HD1' ' HG2' ' A' ' 6' ' ' GLN . 54.9 m-85 -119.14 136.87 53.96 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 172.624 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 68.0 p -98.85 -174.04 2.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.814 -0.176 . . . . 0.0 110.579 -174.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.54 -32.84 67.49 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.724 0.297 . . . . 0.0 111.432 -177.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -60.46 -50.15 74.72 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 177.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.417 ' HG2' ' HD1' ' A' ' 2' ' ' TYR . 26.7 mp0 -70.19 -37.82 75.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.048 178.164 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -56.17 -40.27 73.64 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.829 0.347 . . . . 0.0 110.979 178.038 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.421 ' O ' ' HD1' ' A' ' 12' ' ' TRP . . . -61.44 -47.06 87.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.994 178.719 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -62.35 -36.96 83.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.074 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 6' ' ' GLN . 81.5 mt -64.62 -44.74 96.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.022 0.439 . . . . 0.0 110.065 177.232 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.638 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 87.5 tttt -63.03 -37.16 86.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.714 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.421 ' HD1' ' O ' ' A' ' 8' ' ' ALA . 11.6 m95 -62.76 -25.18 68.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.542 178.405 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.83 -29.94 23.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.073 178.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 58.2 m -73.31 -46.06 51.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.982 0.42 . . . . 0.0 110.882 -179.388 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.638 ' HG3' ' O ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -97.72 -174.25 2.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.881 177.564 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.403 ' HB3' ' O ' ' A' ' 15' ' ' ARG . 61.7 ttp180 74.07 -39.44 0.43 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.075 0.55 . . . . 0.0 110.79 -177.353 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -86.49 -111.47 0.85 Allowed Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 121.297 -0.478 . . . . 0.0 112.204 177.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.591 ' HG2' HD23 ' A' ' 21' ' ' LEU . 54.6 tpp -92.65 96.73 10.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.056 0.455 . . . . 0.0 111.146 -176.77 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 72.2 mt -73.94 -21.3 60.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.788 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -60.37 -31.03 69.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.522 176.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.591 HD23 ' HG2' ' A' ' 18' ' ' MET . 4.3 mm? -93.25 -23.59 18.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.825 178.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -54.05 -36.09 62.71 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.186 0.517 . . . . 0.0 110.667 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.8 t -57.95 -35.06 50.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.002 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.1 p -104.32 -33.93 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.759 0.314 . . . . 0.0 111.469 -176.152 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 63.2 mt -70.63 -46.13 71.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -175.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.568 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 78.9 mmm -59.67 -53.7 63.09 Favored Pre-proline 0 N--CA 1.466 0.354 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -174.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.548 ' HD3' ' HB2' ' A' ' 26' ' ' MET . 50.7 Cg_exo -58.08 -38.71 90.54 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 121.72 1.613 . . . . 0.0 112.279 179.029 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.514 ' HZ ' ' HB3' ' A' ' 76' ' ' LYS . 55.6 t80 -69.32 -41.98 75.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.569 177.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -58.77 -42.07 88.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.663 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.568 ' HG3' ' O ' ' A' ' 26' ' ' MET . 38.7 mt-10 -54.94 -45.18 74.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.528 0.68 . . . . 0.0 111.12 178.304 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -77.56 -40.76 41.35 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.695 -177.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 38.4 t -83.19 -21.8 33.37 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -173.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -53.49 -50.62 64.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.897 0.379 . . . . 0.0 111.254 -179.143 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -69.47 -24.37 63.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.074 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.9 t -80.21 -21.3 43.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.304 -173.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.455 ' HB3' ' HB2' ' A' ' 40' ' ' GLU . 80.1 mt -96.53 155.4 16.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.745 0.307 . . . . 0.0 111.055 -178.109 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 48.3 p -83.31 171.49 13.5 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 172.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -57.89 -41.9 83.52 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -174.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.27 -45.27 85.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.239 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.455 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . 40.1 mt-10 -64.85 -40.54 95.33 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.31 0.576 . . . . 0.0 110.14 178.127 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.49 ' O ' HG23 ' A' ' 45' ' ' VAL . 48.7 tt0 -56.47 -48.59 76.78 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.767 176.438 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -69.1 -34.54 75.24 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.856 -177.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -63.5 -43.31 97.62 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.229 178.078 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -65.47 -42.56 92.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.456 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 41' ' ' GLN . 94.1 t -61.29 -37.94 78.73 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.864 177.53 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.05 -39.35 78.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 177.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.56 HD12 HD22 ' A' ' 70' ' ' LEU . 6.1 tt -64.37 -39.44 93.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.431 178.567 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.5 mt -63.14 -22.69 67.03 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -174.374 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -80.22 -13.85 58.9 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.114 178.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.1 t -96.95 -172.07 2.37 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.974 -178.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.609 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 7.4 m-20 -87.6 175.19 8.03 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 177.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.576 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 9.5 p-10 -121.18 51.61 2.57 Favored Pre-proline 0 CA--C 1.543 0.693 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -179.664 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.609 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 1.6 Cg_endo -83.82 -54.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.061 1.841 . . . . 0.0 110.713 176.112 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.45 ' O ' ' HD1' ' A' ' 58' ' ' TRP . 2.4 m-20 -59.65 -41.58 90.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.981 175.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.53 ' O ' HG23 ' A' ' 59' ' ' VAL . 9.3 tt -58.98 -50.15 75.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.068 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -60.33 -38.26 83.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.185 0.516 . . . . 0.0 110.43 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.6 -40.87 84.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.668 -178.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.479 ' HB2' HG11 ' A' ' 74' ' ' VAL . 21.0 m95 -67.46 -33.32 74.89 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.677 0.275 . . . . 0.0 111.027 179.21 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 55' ' ' LEU . 86.4 t -61.93 -36.5 74.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.051 0.453 . . . . 0.0 110.353 176.371 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 22.1 mmt -87.13 -18.18 31.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.014 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.11 22.87 31.3 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.623 176.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -114.43 -3.65 13.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.226 0.536 . . . . 0.0 110.206 -178.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -88.24 163.04 32.65 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.653 -0.784 . . . . 0.0 113.635 -170.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -148.75 136.17 20.34 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 176.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 29.8 t -130.09 169.86 14.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.778 0.323 . . . . 0.0 110.994 -172.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -86.14 -42.46 13.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.806 -177.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -117.96 131.58 56.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.401 0.619 . . . . 0.0 110.674 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.5 mt -76.19 -17.54 59.48 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.981 -176.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -59.38 -48.2 87.14 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.635 -0.793 . . . . 0.0 111.973 178.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.56 HD22 HD12 ' A' ' 47' ' ' LEU . 58.2 mt -71.57 -30.95 66.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.993 0.425 . . . . 0.0 110.748 176.288 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.35 -36.79 83.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.483 ' O ' ' HG3' ' A' ' 76' ' ' LYS . . . -66.79 -27.77 67.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.755 178.127 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 23.6 mmt -64.91 -45.92 83.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.152 0.501 . . . . 0.0 109.833 175.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.521 ' O ' HG23 ' A' ' 78' ' ' VAL . 31.4 t -65.89 -36.73 78.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.387 178.548 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -54.4 -45.09 72.84 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.913 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.514 ' HB3' ' HZ ' ' A' ' 28' ' ' PHE . 57.4 mttm -67.79 -34.92 77.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.717 -179.659 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 71.2 mt -63.66 -43.52 98.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.177 175.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 74' ' ' VAL . 72.0 t -62.04 -42.88 96.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.537 178.377 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.55 -42.23 87.37 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.278 177.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -71.77 -37.03 70.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.16 0.505 . . . . 0.0 110.262 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -60.23 -33.5 72.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.948 178.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.6 tp -53.66 -30.86 45.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.012 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.546 ' HA ' ' HG2' ' A' ' 86' ' ' ARG . 22.6 t -64.49 -41.03 96.7 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.598 176.568 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -67.77 -33.74 75.44 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 175.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 99.4 t -68.04 -39.98 82.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.044 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.546 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 31.4 ptt85 -77.82 -21.21 51.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.106 0.479 . . . . 0.0 110.885 -178.698 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 64.8 tp -88.08 -55.03 3.92 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.141 -178.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 C--N 1.324 -0.527 0 CA-C-O 121.115 0.483 . . . . 0.0 111.341 -175.106 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.1 mtt . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 110.619 -0.141 . . . . 0.0 110.619 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -62.5 105.41 0.63 Allowed 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 121.348 0.594 . . . . 0.0 109.575 170.074 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.4 p -90.29 -174.64 4.24 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.895 -1.048 . . . . 0.0 112.376 -171.141 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.51 ' HA ' ' HG2' ' A' ' 7' ' ' LYS . . . -59.36 -30.72 68.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.851 175.731 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -64.35 -49.41 71.78 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 121.351 0.596 . . . . 0.0 109.633 175.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.5 ' O ' HG13 ' A' ' 10' ' ' ILE . 77.6 mm-40 -66.08 -42.92 88.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.062 -175.715 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.51 ' HG2' ' HA ' ' A' ' 4' ' ' ALA . 20.9 ptmt -61.57 -33.42 73.84 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.582 -179.347 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.88 -41.25 71.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.937 0.399 . . . . 0.0 110.201 177.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -62.69 -32.7 73.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.277 176.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 6' ' ' GLN . 78.3 mt -65.45 -43.21 94.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.596 174.239 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.606 ' HD3' ' O ' ' A' ' 11' ' ' LYS . 2.3 tmtp? -56.95 -35.26 68.89 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.553 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -58.1 -32.98 68.61 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.972 176.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.69 40.54 1.47 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.983 0.42 . . . . 0.0 110.575 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 3.7 p -61.48 -24.81 66.83 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.892 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.784 HH21 ' HA ' ' A' ' 49' ' ' GLU . 36.0 mmt180 75.22 163.36 0.26 Allowed 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.353 0.661 . . . . 0.0 111.545 178.716 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -122.31 109.95 15.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.946 -177.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -134.81 -60.07 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.374 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.44 ' HG3' ' H ' ' A' ' 20' ' ' GLU . 12.3 tpt -162.44 142.21 9.55 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -178.048 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.6 mt -61.39 -36.36 80.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 111.087 -178.505 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.476 ' O ' HG23 ' A' ' 24' ' ' VAL . 27.7 mm-40 -64.81 -42.64 94.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.69 175.631 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.547 ' O ' HG12 ' A' ' 25' ' ' ILE . 4.4 tt -69.13 -36.88 77.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.283 -174.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -57.47 -43.73 84.27 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.506 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.13 -22.45 30.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.205 -178.445 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 20' ' ' GLU . 5.0 t -93.31 1.65 9.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.265 0.555 . . . . 0.0 110.293 -179.601 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.547 HG12 ' O ' ' A' ' 21' ' ' LEU . 46.2 mm -104.09 -65.43 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.602 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.717 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 34.7 tpp -68.56 -53.53 16.49 Favored Pre-proline 0 CA--C 1.535 0.385 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -170.321 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.717 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 31.0 Cg_exo -63.39 -29.25 71.91 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 121.699 1.6 . . . . 0.0 111.796 176.721 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.533 ' HZ ' ' HB3' ' A' ' 76' ' ' LYS . 70.7 t80 -69.85 -36.38 75.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.388 176.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -56.9 -41.07 77.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.219 177.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -55.53 -45.2 77.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.967 178.033 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -71.05 -51.28 26.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.961 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.0 t -70.02 -31.66 69.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.799 -170.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -53.93 -36.78 63.15 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 122.396 0.278 . . . . 0.0 111.667 -177.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -68.61 -20.23 64.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.022 0.439 . . . . 0.0 111.034 -178.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.1 m -107.2 -6.48 17.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.365 -178.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.429 ' HB3' ' HG3' ' A' ' 41' ' ' GLN . 66.5 mt -89.43 143.13 27.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.105 0.478 . . . . 0.0 111.47 -178.077 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.6 p -108.63 164.98 11.88 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.498 172.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -54.62 -38.1 66.42 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.97 0.414 . . . . 0.0 110.982 -179.141 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 m -57.6 -49.72 75.49 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.09 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -71.88 -39.14 69.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 178.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.483 ' O ' HG23 ' A' ' 45' ' ' VAL . 49.9 mt-30 -61.6 -39.76 92.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.678 -177.74 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -64.07 -45.56 88.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.937 0.399 . . . . 0.0 110.9 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -65.03 -35.78 82.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.674 178.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -68.23 -44.19 76.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.278 178.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 41' ' ' GLN . 73.7 t -62.99 -41.5 93.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.777 0.322 . . . . 0.0 110.517 178.169 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.61 -33.43 72.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.145 0.497 . . . . 0.0 110.744 176.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.547 ' HB2' HD22 ' A' ' 70' ' ' LEU . 54.7 tp -67.47 -38.15 83.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.09 177.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.0 mt -71.38 -18.22 62.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 112.074 -175.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.784 ' HA ' HH21 ' A' ' 15' ' ' ARG . 38.3 mt-10 -85.8 -12.59 50.54 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.652 0.242 . . . . 0.0 111.652 177.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.2 m -71.82 178.56 3.59 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.225 0.536 . . . . 0.0 111.504 -178.018 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -83.69 12.0 6.53 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.712 0.768 . . . . 0.0 110.001 177.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.569 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 10.5 m-20 50.82 52.43 12.28 Favored Pre-proline 0 CA--C 1.532 0.256 0 CA-C-N 114.601 -1.181 . . . . 0.0 112.35 -176.317 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.569 ' HD3' ' N ' ' A' ' 52' ' ' ASP . 5.2 Cg_endo -87.4 -56.67 0.02 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 121.873 1.716 . . . . 0.0 111.578 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.5 ' HB2' ' HB3' ' A' ' 65' ' ' CYS . 23.4 p-10 -70.5 -32.87 70.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.069 176.509 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.507 ' O ' HG23 ' A' ' 59' ' ' VAL . 6.9 tt -60.85 -50.57 72.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.682 175.094 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -63.8 -38.14 89.98 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.999 0.428 . . . . 0.0 110.494 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.594 ' HB1' ' HA3' ' A' ' 63' ' ' GLY . . . -57.35 -47.29 82.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.946 -178.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.506 ' HB2' HG11 ' A' ' 74' ' ' VAL . 31.1 m95 -74.71 -28.58 60.86 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.725 -176.592 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 55' ' ' LEU . 91.8 t -59.29 -42.77 88.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 120.907 0.384 . . . . 0.0 110.338 175.46 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 87.6 mtp -87.22 -20.05 27.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.583 178.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.16 33.36 17.84 Favored Glycine 0 C--N 1.331 0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.647 177.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -156.58 97.55 1.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 122.399 0.28 . . . . 0.0 110.529 -175.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.594 ' HA3' ' HB1' ' A' ' 57' ' ' ALA . . . 160.05 -31.53 0.4 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.359 -0.924 . . . . 0.0 113.43 174.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 62.76 -175.64 0.15 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.07 0.462 . . . . 0.0 111.452 -177.057 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.5 ' HB3' ' HB2' ' A' ' 54' ' ' ASP . 25.1 p -149.34 -178.25 6.3 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.369 -178.141 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -94.52 -35.74 12.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.251 0.548 . . . . 0.0 110.168 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -118.79 120.56 37.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.063 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.0 mt -70.52 -17.92 62.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.812 179.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.58 -47.15 91.48 Favored Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 174.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.547 HD22 ' HB2' ' A' ' 47' ' ' LEU . 99.0 mt -58.03 -43.85 86.99 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.199 0.523 . . . . 0.0 109.951 174.568 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.476 ' HB2' ' SG ' ' A' ' 65' ' ' CYS . . . -65.6 -26.01 67.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.433 -179.461 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.49 ' O ' ' HG3' ' A' ' 76' ' ' LYS . . . -62.94 -43.0 99.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.594 179.303 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 5.1 mpp? -69.08 -39.29 79.15 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.673 176.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.521 ' O ' HG23 ' A' ' 78' ' ' VAL . 46.0 t -62.5 -40.68 89.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.85 0.357 . . . . 0.0 110.598 178.039 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -60.64 -38.51 85.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.596 177.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.533 ' HB3' ' HZ ' ' A' ' 28' ' ' PHE . 97.6 mttt -61.99 -40.45 95.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.73 176.223 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 78.3 mt -63.36 -46.6 95.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.271 176.031 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 74' ' ' VAL . 84.1 t -56.79 -34.61 43.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.124 178.651 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.69 -46.5 88.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.813 0.34 . . . . 0.0 111.052 178.036 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -67.73 -36.1 79.96 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.607 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 58.0 t30 -63.64 -48.01 78.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.383 177.518 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.0 tt -57.57 -37.12 72.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.284 0.564 . . . . 0.0 109.633 177.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.503 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 21.9 t -63.58 -43.48 96.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.169 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.607 ' HG2' ' O ' ' A' ' 81' ' ' ASN . 11.7 ptmm? -69.38 -26.08 64.48 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.491 -0.483 . . . . 0.0 109.996 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 81' ' ' ASN . 95.2 t -74.93 -46.36 40.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.688 177.233 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.503 ' HG3' ' O ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -66.21 -23.3 66.41 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.136 0.493 . . . . 0.0 111.041 -179.495 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.425 ' N ' ' HD3' ' A' ' 86' ' ' ARG . 60.2 tp -70.45 -38.68 74.54 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.004 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 . . . . . 0 C--N 1.329 -0.306 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -176.075 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.2 tpp . . . . . 0 N--CA 1.478 0.957 0 CA-C-O 120.804 0.335 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.625 ' HE1' ' HE3' ' A' ' 7' ' ' LYS . 3.9 p90 -85.3 164.69 17.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.434 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.3 p -102.63 -171.84 2.03 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.894 -175.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 7' ' ' LYS . . . -57.35 -34.39 68.76 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.742 -176.451 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.4 -36.75 83.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.722 0.296 . . . . 0.0 111.419 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -70.45 -35.63 73.45 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 176.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.625 ' HE3' ' HE1' ' A' ' 2' ' ' TYR . 32.5 mmtp -59.48 -32.67 70.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.807 176.268 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.04 -36.41 72.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.837 -178.339 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -62.45 -42.43 99.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.258 0.552 . . . . 0.0 109.935 177.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 64.6 mt -65.66 -43.29 93.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.963 176.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -54.56 -36.48 64.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.834 -1.076 . . . . 0.0 111.772 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -66.42 -25.4 66.74 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -179.401 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.37 -49.92 3.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.966 0.412 . . . . 0.0 111.477 -177.509 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 84.6 m -63.31 -23.87 67.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.271 -177.181 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -51.1 -33.66 27.14 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.738 0.304 . . . . 0.0 111.106 177.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 16' ' ' ARG . 20.6 ttm-85 -101.17 -48.24 4.47 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 173.755 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.428 ' O ' ' HB3' ' A' ' 18' ' ' MET . . . 87.68 -29.62 5.31 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.627 -0.715 . . . . 0.0 113.338 174.312 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.428 ' HB3' ' O ' ' A' ' 17' ' ' GLY . 14.0 ttt 66.02 100.97 0.04 OUTLIER 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -173.75 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.7 mt -54.84 -30.69 58.17 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -167.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -68.19 -20.32 64.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.824 0.345 . . . . 0.0 111.315 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 21' ' ' LEU . 26.5 mt -120.8 -30.27 4.48 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.062 -175.341 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -53.07 -44.16 67.27 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.355 0.662 . . . . 0.0 112.224 -176.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.7 m -66.63 -13.53 16.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.112 -176.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.8 t -106.67 -46.34 8.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.938 0.399 . . . . 0.0 110.78 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 62.1 mt -67.02 -46.7 84.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.169 -175.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.425 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 43.9 ttm -57.58 -54.39 55.56 Favored Pre-proline 0 CA--C 1.536 0.425 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -173.767 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.425 ' HD2' ' N ' ' A' ' 26' ' ' MET . 28.4 Cg_endo -63.87 -37.05 46.85 Favored 'Trans proline' 0 C--N 1.357 0.977 0 C-N-CA 121.781 1.654 . . . . 0.0 112.138 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -60.7 -47.61 85.48 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.236 178.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.404 ' O ' ' HB2' ' A' ' 33' ' ' PHE . 81.6 t80 -58.67 -48.83 79.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.786 -178.74 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -59.21 -45.34 91.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.117 0.484 . . . . 0.0 111.548 -177.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -72.92 -51.61 17.83 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.362 -0.835 . . . . 0.0 112.01 -177.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.47 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 6.9 t -83.2 -19.87 35.71 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -167.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.404 ' HB2' ' O ' ' A' ' 29' ' ' PHE . 86.1 t80 -50.88 -38.42 49.47 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.852 0.358 . . . . 0.0 111.749 -177.576 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -65.83 -21.99 66.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.254 0.549 . . . . 0.0 111.461 -179.179 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.0 m -113.65 1.51 14.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.441 -176.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 70.7 mt -89.63 135.17 33.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.854 0.359 . . . . 0.0 110.86 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.9 161.16 25.72 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.578 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -64.02 -34.83 78.9 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -174.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.1 m -56.63 -47.58 79.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.979 0.419 . . . . 0.0 110.314 172.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -61.81 -38.65 88.92 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.359 0.6 . . . . 0.0 110.207 177.062 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.411 ' O ' HG23 ' A' ' 45' ' ' VAL . 78.5 mt-30 -65.41 -39.07 91.71 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.993 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -66.09 -45.48 81.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.778 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -59.95 -36.47 77.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.517 176.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -62.51 -43.53 98.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.705 177.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 41' ' ' GLN . 92.2 t -66.23 -48.19 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.406 178.791 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.76 -37.97 77.42 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.014 178.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 30.1 tp -54.94 -50.4 68.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.567 176.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.1 mt -67.05 -27.77 67.66 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.026 -172.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -79.65 -14.21 58.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.618 0.247 . . . . 0.0 111.259 179.296 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.9 m -101.76 150.75 22.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.218 0.532 . . . . 0.0 111.955 -172.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -93.76 103.22 15.36 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 172.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 1.067 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . 53.1 m-20 -125.2 85.7 57.85 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -170.474 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -75.61 -35.6 2.65 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.872 2.382 . . . . 0.0 111.454 174.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.435 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 10.2 p-10 -69.7 -32.11 70.5 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.199 0.523 . . . . 0.0 109.753 178.092 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.067 ' HB2' ' HB3' ' A' ' 52' ' ' ASP . 0.7 OUTLIER -70.09 -35.96 74.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.259 175.89 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -57.83 -30.59 65.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.339 0.59 . . . . 0.0 110.153 174.046 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 54' ' ' ASP . . . -67.02 -21.92 65.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.165 176.693 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.492 ' HE1' ' HA ' ' A' ' 64' ' ' ARG . 14.3 m95 -78.0 -30.96 50.35 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.423 174.401 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.5 t -58.61 -34.84 52.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.377 175.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 23.3 ptm -96.8 -9.57 28.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.723 177.087 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.36 35.91 36.02 Favored Glycine 0 CA--C 1.52 0.349 0 CA-C-N 116.002 -0.545 . . . . 0.0 114.045 173.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -135.79 18.91 3.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 117.168 0.484 . . . . 0.0 111.728 -178.393 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -128.71 -178.97 15.63 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 119.913 -1.136 . . . . 0.0 113.079 -176.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.492 ' HA ' ' HE1' ' A' ' 58' ' ' TRP . 12.9 mmt180 -138.53 148.52 44.35 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 122.449 0.3 . . . . 0.0 110.256 176.574 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 96.9 m -135.0 159.43 41.54 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.329 -177.405 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -77.45 -36.47 52.97 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -174.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.403 ' ND2' ' HG ' ' A' ' 70' ' ' LEU . 20.5 p-10 -111.7 113.67 26.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.502 0.668 . . . . 0.0 110.48 178.624 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.2 mt -71.93 -12.3 61.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.818 -176.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.63 -47.47 88.22 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.39 173.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.604 ' HB3' HD11 ' A' ' 55' ' ' LEU . 30.1 mt -66.1 -39.79 90.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.114 0.483 . . . . 0.0 110.499 176.393 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.59 -39.54 91.56 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.395 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.37 -44.18 97.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.113 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.522 ' O ' HG13 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -61.06 -47.08 88.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.598 177.873 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.735 HG21 HD22 ' A' ' 55' ' ' LEU . 97.3 t -64.83 -40.54 89.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.331 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -55.54 -42.46 74.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.281 0.562 . . . . 0.0 110.771 178.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -68.26 -34.46 76.25 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.737 178.16 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 73' ' ' MET . 68.7 mt -65.03 -43.78 96.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.976 0.417 . . . . 0.0 110.072 175.673 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 74' ' ' VAL . 88.3 t -59.91 -41.61 86.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.649 178.716 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.34 -36.95 74.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.083 177.056 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -72.59 -37.17 68.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.155 0.502 . . . . 0.0 110.597 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -67.11 -35.51 79.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.6 179.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.4 tt -54.21 -38.79 66.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.011 178.115 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.57 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 19.4 m -62.9 -42.25 99.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 177.261 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -63.04 -33.59 75.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.788 0.328 . . . . 0.0 110.975 178.196 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 58.5 t -75.16 -33.49 28.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.255 0.55 . . . . 0.0 110.639 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.506 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 27.0 ptt180 -83.46 -7.14 59.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.139 0.495 . . . . 0.0 110.292 179.13 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 83' ' ' SER . 56.0 mt -84.43 -77.6 0.26 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.286 174.027 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 . . . . . 0 C--N 1.328 -0.339 0 N-CA-C 111.705 0.261 . . . . 0.0 111.705 -174.209 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ttt . . . . . 0 N--CA 1.478 0.957 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.433 ' HD2' ' HB3' ' A' ' 6' ' ' GLN . 55.9 m-85 -69.18 97.07 0.88 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.586 0.707 . . . . 0.0 110.046 171.269 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.6 p -104.68 -161.62 0.83 Allowed 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.561 -173.253 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.71 -39.81 65.54 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -175.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -61.04 -45.35 95.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.475 0.655 . . . . 0.0 110.078 178.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.461 ' HA ' ' HG2' ' A' ' 9' ' ' ARG . 13.4 mm100 -70.3 -32.16 69.81 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.973 -179.694 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.1 mttt -64.01 -33.71 76.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.712 0.291 . . . . 0.0 110.688 174.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.95 -36.85 84.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.869 0.366 . . . . 0.0 110.351 175.159 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.461 ' HG2' ' HA ' ' A' ' 6' ' ' GLN . 22.4 mmt180 -63.03 -39.11 93.78 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.454 0.645 . . . . 0.0 109.501 176.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 64.1 mt -64.57 -42.17 94.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.321 177.327 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -56.02 -36.98 68.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.027 178.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 19.0 m95 -64.26 -37.65 88.22 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.92 0.391 . . . . 0.0 111.187 176.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.97 -38.91 72.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.652 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 58.0 m -67.49 -42.19 83.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.054 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.419 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 28.3 ttt180 -85.04 31.01 0.56 Allowed 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.467 0.651 . . . . 0.0 110.39 178.795 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -61.57 -41.33 97.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.434 174.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 156.48 -27.73 0.55 Allowed Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.381 -176.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.4 tpt -78.44 68.15 4.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.486 0.66 . . . . 0.0 109.705 176.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.564 ' HA ' ' HB3' ' A' ' 22' ' ' ASP . 85.3 mt -64.77 -22.64 67.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.41 -176.685 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -56.75 -33.97 67.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.552 176.109 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.508 ' HA ' HG22 ' A' ' 24' ' ' VAL . 75.9 mt -96.04 -31.55 12.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.663 178.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.564 ' HB3' ' HA ' ' A' ' 19' ' ' LEU . 15.5 t70 -48.58 -44.73 37.12 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.186 0.517 . . . . 0.0 111.794 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.486 HG23 HG13 ' A' ' 24' ' ' VAL . 27.7 m -76.95 -11.17 13.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -176.171 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.508 HG22 ' HA ' ' A' ' 21' ' ' LEU . 33.1 m -116.14 -18.82 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -177.672 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 21' ' ' LEU . 69.2 mt -70.29 -39.92 77.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 O-C-N 122.13 -0.356 . . . . 0.0 111.209 -179.532 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.498 ' HA ' ' CE ' ' A' ' 26' ' ' MET . 19.1 mmt -54.91 -53.83 56.63 Favored Pre-proline 0 CA--C 1.538 0.512 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -174.435 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' A' ' 26' ' ' MET . 18.7 Cg_endo -60.25 -43.99 31.43 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 121.798 1.665 . . . . 0.0 112.582 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.428 ' HD1' ' O ' ' A' ' 24' ' ' VAL . 55.9 m-85 -66.49 -39.44 88.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.826 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.514 ' HZ ' HE21 ' A' ' 41' ' ' GLN . 91.3 t80 -58.29 -48.45 80.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.509 177.365 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.81 -45.52 92.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.854 -177.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.487 ' HG3' ' N ' ' A' ' 32' ' ' CYS . 2.5 pt-20 -73.56 -45.34 53.95 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.958 -179.076 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.487 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 83.3 m -72.12 -32.34 66.86 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 122.431 -0.168 . . . . 0.0 111.246 -175.409 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -56.3 -33.38 65.49 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.025 0.44 . . . . 0.0 110.877 178.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -57.7 -26.06 61.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.973 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.2 p -109.68 -20.08 12.95 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.653 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.6 mt -96.45 118.72 33.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.832 0.349 . . . . 0.0 110.113 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.77 174.89 11.12 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.988 -174.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.26 -36.63 84.31 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -174.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.5 m -57.39 -38.89 75.0 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.258 0.551 . . . . 0.0 110.391 174.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -71.37 -45.72 62.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.887 177.297 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.514 HE21 ' HZ ' ' A' ' 29' ' ' PHE . 52.9 tt0 -57.18 -42.19 80.69 Favored 'General case' 0 N--CA 1.433 -1.286 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.637 178.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -57.86 -41.01 81.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.263 -177.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -69.28 -41.06 77.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.261 0.553 . . . . 0.0 109.863 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -63.89 -46.15 86.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.252 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 41' ' ' GLN . 85.0 t -61.79 -42.01 92.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.378 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.89 -34.41 67.87 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.331 177.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.436 HD22 HD13 ' A' ' 70' ' ' LEU . 56.4 tp -67.98 -44.53 76.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.037 177.241 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.0 mt -64.32 -22.07 66.83 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 112.08 -175.035 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -71.69 -18.64 62.16 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.162 0.506 . . . . 0.0 110.816 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.8 m -109.13 -162.76 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.556 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.424 ' HB3' ' HD3' ' A' ' 53' ' ' PRO . 1.0 OUTLIER -71.23 164.88 24.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.02 0.438 . . . . 0.0 110.527 174.178 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -121.14 52.88 3.16 Favored Pre-proline 0 C--N 1.32 -0.707 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -175.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.424 ' HD3' ' HB3' ' A' ' 51' ' ' ASP . 71.1 Cg_endo -78.64 -34.89 1.23 Allowed 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 121.424 1.416 . . . . 0.0 111.332 178.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.01 -46.35 89.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.591 177.245 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.426 ' O ' HG23 ' A' ' 59' ' ' VAL . 2.9 tt -66.19 -49.8 66.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.575 -179.12 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -58.21 -48.06 81.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.783 -178.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.22 -34.36 70.73 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -174.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 24.9 m95 -83.56 -27.52 29.23 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.366 -0.534 . . . . 0.0 112.186 -175.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.517 ' HA ' HG22 ' A' ' 78' ' ' VAL . 52.9 t -62.02 -41.93 92.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 121.037 0.446 . . . . 0.0 110.631 173.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 67.8 mtm -83.15 -20.42 34.77 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.226 176.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.31 51.08 4.05 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 121.022 -0.609 . . . . 0.0 113.09 174.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -162.96 91.72 0.74 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.658 -0.319 . . . . 0.0 110.395 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 160.01 176.48 32.14 Favored Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.019 178.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -107.6 167.61 9.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.94 0.4 . . . . 0.0 110.736 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 44.9 t -155.54 144.2 20.43 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 176.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -84.0 -37.72 21.84 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.086 0.47 . . . . 0.0 110.625 -177.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.416 ' HB2' HD12 ' A' ' 70' ' ' LEU . 93.0 m-20 -102.17 105.39 16.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.548 -178.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.7 mt -74.93 -19.53 60.09 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.919 -178.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.01 -42.63 99.74 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.558 174.143 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.606 ' O ' ' HG3' ' A' ' 73' ' ' MET . 85.9 mt -62.73 -47.93 81.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.079 0.466 . . . . 0.0 110.275 173.522 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.76 -31.35 68.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.09 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.477 ' O ' ' HG3' ' A' ' 76' ' ' LYS . . . -62.2 -45.33 93.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.21 179.323 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.606 ' HG3' ' O ' ' A' ' 70' ' ' LEU . 4.2 ppp? -74.03 -28.89 61.65 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.56 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.521 ' O ' HG23 ' A' ' 78' ' ' VAL . 86.9 t -67.21 -40.76 85.77 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 176.563 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -55.06 -38.28 67.84 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.968 177.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 72' ' ' ALA . 54.6 mttm -66.4 -34.2 77.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.573 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 71.6 mt -71.25 -42.53 74.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.911 174.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 74' ' ' VAL . 93.9 t -58.65 -34.42 51.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.918 179.055 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.9 -42.88 76.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.992 178.157 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.426 ' HB2' ' HE2' ' A' ' 28' ' ' PHE . 69.6 m-70 -66.38 -42.76 87.48 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 120.884 0.373 . . . . 0.0 110.52 177.58 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.485 ' O ' HG23 ' A' ' 85' ' ' VAL . 27.3 t-20 -63.59 -43.63 96.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.437 -179.423 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.2 tt -63.11 -39.84 95.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.857 178.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.0 t -63.68 -38.12 89.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.206 177.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -58.62 -40.99 84.91 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.881 0.372 . . . . 0.0 110.353 174.092 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 81' ' ' ASN . 58.4 t -66.07 -42.48 91.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.835 -178.695 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -75.81 -24.97 55.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.023 0.439 . . . . 0.0 110.536 -179.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 64.0 tp -76.33 -45.45 32.17 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.44 178.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 N--CA 1.454 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.883 176.149 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.5 mtp . . . . . 0 N--CA 1.484 1.226 0 CA-C-O 120.933 0.397 . . . . 0.0 111.752 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.23 123.41 40.71 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 173.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.3 p -126.29 -170.36 2.18 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -171.157 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.21 -37.35 72.08 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -174.091 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -60.56 -44.13 96.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.231 0.538 . . . . 0.0 110.532 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.617 ' HA ' ' HD3' ' A' ' 9' ' ' ARG . 23.5 mp0 -66.59 -33.38 75.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.726 177.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.554 ' HA ' HD12 ' A' ' 10' ' ' ILE . 93.7 mttt -65.21 -34.84 79.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.666 0.269 . . . . 0.0 110.922 177.621 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.483 ' O ' ' HD1' ' A' ' 12' ' ' TRP . . . -62.24 -38.13 88.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.612 178.169 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.617 ' HD3' ' HA ' ' A' ' 6' ' ' GLN . 40.7 mtp180 -62.14 -37.83 86.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.94 177.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.66 HD13 ' HZ ' ' A' ' 29' ' ' PHE . 56.6 mt -66.03 -43.27 92.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.382 177.462 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -55.47 -35.37 65.44 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.698 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.555 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 15.8 m95 -58.95 -40.4 84.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.474 0.178 . . . . 0.0 111.354 177.401 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.19 -21.86 62.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.086 0.469 . . . . 0.0 111.155 -178.447 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 45.1 m -73.23 -22.14 60.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.808 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.555 ' HB2' ' O ' ' A' ' 12' ' ' TRP . 1.4 mpt_? -53.8 172.35 0.08 Allowed 'General case' 0 C--O 1.233 0.223 0 N-CA-C 113.515 0.932 . . . . 0.0 113.515 -174.233 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -64.74 118.83 9.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.787 -1.097 . . . . 0.0 111.534 -171.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -165.35 -48.82 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.751 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.426 178.099 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.685 ' HG2' ' HG ' ' A' ' 21' ' ' LEU . 23.4 tpp -144.78 95.45 2.7 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.4 mt -66.97 -26.25 66.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.116 0.484 . . . . 0.0 110.884 -177.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -62.86 -31.09 72.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.023 178.151 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.685 ' HG ' ' HG2' ' A' ' 18' ' ' MET . 86.7 mt -92.18 -19.19 22.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.893 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -55.86 -45.81 78.39 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.313 -178.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.2 m -81.11 -10.58 12.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.077 -176.402 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 52.6 t -98.82 -46.59 12.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 120.763 0.316 . . . . 0.0 110.92 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 75.7 mt -84.03 -52.01 13.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.872 -174.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.668 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 53.1 ttp -57.82 -53.64 63.67 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -172.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.668 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 32.3 Cg_exo -60.34 -36.85 85.78 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 121.864 1.709 . . . . 0.0 111.994 179.026 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -65.66 -42.92 90.77 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.911 0.386 . . . . 0.0 110.188 177.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.66 ' HZ ' HD13 ' A' ' 10' ' ' ILE . 87.9 t80 -57.12 -48.9 77.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.262 178.209 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 26' ' ' MET . 9.1 mt-10 -61.86 -35.25 77.76 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.016 0.436 . . . . 0.0 111.131 -179.39 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -68.12 -52.39 35.4 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.723 176.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.409 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 12.5 t -82.51 -26.98 32.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.127 -169.452 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -53.34 -35.58 60.37 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 122.776 0.43 . . . . 0.0 111.203 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -61.62 -34.64 76.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.731 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.2 t -88.24 -40.87 13.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.055 -177.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 71.3 mt -64.68 136.19 56.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.545 -175.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.513 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 36.3 p -81.71 164.82 21.49 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 170.682 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -50.9 -41.4 58.45 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -175.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.0 m -60.52 -45.25 94.52 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.616 0.246 . . . . 0.0 111.576 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -66.22 -40.15 90.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.59 0.709 . . . . 0.0 109.739 177.316 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.538 ' O ' HG23 ' A' ' 45' ' ' VAL . 96.3 mt-30 -61.7 -44.22 97.34 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.711 178.369 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -64.16 -44.54 91.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.607 -174.165 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.3 -39.81 88.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.024 0.44 . . . . 0.0 110.657 176.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.468 ' CE1' HD11 ' A' ' 77' ' ' ILE . 45.5 t80 -68.02 -40.84 82.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.495 178.413 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 41' ' ' GLN . 85.9 t -64.08 -39.25 84.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-O 120.715 0.293 . . . . 0.0 110.601 177.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.24 -36.0 72.55 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.508 176.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.739 HD21 HD13 ' A' ' 70' ' ' LEU . 78.6 mt -67.19 -39.23 86.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.972 175.168 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.5 mt -71.0 -37.66 72.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.174 -175.004 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -83.27 -14.1 53.82 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.845 0.355 . . . . 0.0 111.195 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.4 t -84.17 -169.79 2.77 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 176.431 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.599 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 7.5 t70 -84.94 166.93 16.38 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 175.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.516 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 11.7 p-10 -119.8 53.12 2.42 Favored Pre-proline 0 CA--C 1.541 0.601 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -174.712 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.599 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 6.2 Cg_endo -86.64 -55.32 0.02 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 121.605 1.537 . . . . 0.0 111.321 176.387 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -69.96 -32.74 71.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.371 176.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.412 ' O ' HG23 ' A' ' 59' ' ' VAL . 5.4 tt -66.13 -49.9 65.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.707 178.024 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.421 ' HB2' ' O ' ' A' ' 52' ' ' ASP . 41.6 t80 -61.13 -33.01 72.7 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.124 0.488 . . . . 0.0 110.427 178.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.887 ' HB1' ' HA3' ' A' ' 63' ' ' GLY . . . -62.37 -37.41 85.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.746 -177.411 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.451 ' HB2' HG11 ' A' ' 74' ' ' VAL . 29.6 m95 -78.52 -31.63 47.68 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.047 178.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.544 ' HA ' HG22 ' A' ' 78' ' ' VAL . 81.5 t -62.84 -40.1 87.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.934 0.397 . . . . 0.0 110.692 177.78 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 24.3 mmt -90.96 -11.2 39.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.247 178.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.08 34.47 70.36 Favored Glycine 0 C--O 1.227 -0.285 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.687 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -126.34 24.57 6.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.155 0.503 . . . . 0.0 110.109 -173.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.887 ' HA3' ' HB1' ' A' ' 57' ' ' ALA . . . -165.28 179.41 39.78 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.396 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 44.2 mtm180 -140.19 172.2 13.08 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 122.35 0.26 . . . . 0.0 110.395 -178.259 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.657 ' SG ' ' HB2' ' A' ' 71' ' ' ALA . 25.7 p -142.04 171.49 13.98 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 173.618 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -85.64 -34.32 21.38 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -173.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.481 HD21 HD12 ' A' ' 70' ' ' LEU . 14.8 p-10 -111.33 118.14 35.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.502 0.668 . . . . 0.0 111.309 -177.39 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.545 ' HA ' ' HB3' ' A' ' 71' ' ' ALA . 54.2 mt -75.0 -14.57 60.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.063 -175.09 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.79 -47.13 91.47 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.439 -0.886 . . . . 0.0 111.293 175.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.739 HD13 HD21 ' A' ' 47' ' ' LEU . 15.7 mt -71.25 -35.87 71.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.879 0.371 . . . . 0.0 110.415 174.499 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.657 ' HB2' ' SG ' ' A' ' 65' ' ' CYS . . . -60.64 -38.94 86.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.368 179.097 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.465 ' O ' ' HG3' ' A' ' 76' ' ' LYS . . . -58.8 -37.01 75.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 90.7 mmm -64.83 -44.55 89.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.381 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.491 ' O ' HG23 ' A' ' 78' ' ' VAL . 21.7 t -68.94 -37.1 76.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.611 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -58.92 -40.29 84.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.647 177.223 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 72' ' ' ALA . 44.5 mtpt -64.92 -34.24 77.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.536 177.626 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.468 HD11 ' CE1' ' A' ' 44' ' ' PHE . 60.6 mt -61.58 -45.72 98.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 173.514 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.544 HG22 ' HA ' ' A' ' 59' ' ' VAL . 45.2 t -60.81 -41.1 87.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.851 179.334 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.13 -36.67 80.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.019 0.438 . . . . 0.0 110.749 178.378 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 -63.72 -42.18 97.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.05 176.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.709 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 52.8 t30 -69.93 -47.08 63.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.777 178.31 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 73.3 mt -57.03 -31.19 64.89 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.339 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.624 ' HA ' ' HG2' ' A' ' 86' ' ' ARG . 67.8 m -67.26 -42.98 83.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.489 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.709 ' HG2' ' O ' ' A' ' 81' ' ' ASN . 11.9 ptmm? -70.99 -26.76 63.28 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.373 -0.531 . . . . 0.0 109.838 177.149 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 81' ' ' ASN . 70.9 t -72.17 -43.2 66.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.926 177.04 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.624 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 25.5 ptt85 -76.19 -17.23 59.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.265 0.555 . . . . 0.0 110.492 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.498 HD22 ' HG3' ' A' ' 88' ' ' GLU . 1.7 tt -72.32 -58.82 3.1 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.493 179.055 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.498 ' HG3' HD22 ' A' ' 87' ' ' LEU . 47.4 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.779 0.323 . . . . 0.0 111.516 -178.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.3 mmt . . . . . 0 N--CA 1.487 1.393 0 N-CA-C 111.66 0.245 . . . . 0.0 111.66 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -132.77 107.09 8.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.187 0.517 . . . . 0.0 110.719 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.1 p -94.27 -168.51 1.87 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.963 177.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.76 -39.23 76.93 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.915 -178.005 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -60.6 -42.18 96.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.366 0.603 . . . . 0.0 111.066 -178.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.65 -47.61 77.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.253 -176.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -67.89 -30.47 69.83 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.165 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.47 ' O ' ' HB3' ' A' ' 11' ' ' LYS . . . -62.17 -42.78 99.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.069 177.772 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.6 mtm-85 -66.6 -32.91 74.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.968 0.413 . . . . 0.0 110.892 176.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.5 mt -65.55 -42.62 93.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.001 173.165 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 8' ' ' ALA . 23.6 tptm -54.43 -36.27 63.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.358 176.647 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -66.41 -22.64 66.23 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.764 0.316 . . . . 0.0 111.473 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.45 28.29 4.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.952 0.406 . . . . 0.0 110.749 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 p -59.94 -24.8 64.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.382 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.19 122.87 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.536 0.684 . . . . 0.0 111.943 175.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.545 ' H ' ' HD2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -93.89 128.66 40.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.153 175.029 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 176.09 -51.4 0.12 Allowed Glycine 0 N--CA 1.443 -0.842 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 92.8 mmm -130.85 117.76 19.79 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 176.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.44 ' O ' HG23 ' A' ' 23' ' ' VAL . 86.9 mt -59.8 -32.25 70.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.881 0.372 . . . . 0.0 110.975 -177.133 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -70.44 -34.93 73.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.217 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.6 mt -72.0 -32.04 66.82 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.022 0.439 . . . . 0.0 110.284 178.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -60.78 -32.4 71.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.557 175.55 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 19' ' ' LEU . 47.1 t -75.52 -27.3 18.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.861 178.75 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.545 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 98.9 t -67.35 -48.71 76.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.762 -176.612 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 58.4 mt -58.26 -37.56 63.63 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -173.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.708 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 50.7 ttp -58.36 -54.54 54.88 Favored Pre-proline 0 CA--C 1.543 0.689 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -170.627 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.708 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 3.0 Cg_endo -87.8 -31.47 0.21 Allowed 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.137 1.891 . . . . 0.0 113.12 178.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.413 ' CD2' HG23 ' A' ' 77' ' ' ILE . 16.8 m-85 -67.06 -35.57 80.12 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 121.29 -0.164 . . . . 0.0 111.404 -175.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.498 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 67.6 t80 -59.15 -48.36 81.88 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.855 0.359 . . . . 0.0 110.345 176.005 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -54.93 -39.79 69.21 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.555 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -71.04 -51.9 22.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.202 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.547 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 24.2 p -73.9 -29.47 62.07 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -173.366 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -52.25 -36.01 51.39 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.02 0.438 . . . . 0.0 110.988 178.148 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -61.07 -26.62 67.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.065 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.3 p -119.84 10.9 11.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.958 0.408 . . . . 0.0 111.551 -178.067 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 48.7 mt -95.18 -174.04 3.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.139 0.495 . . . . 0.0 110.959 176.209 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.9 m -146.46 166.97 24.82 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 177.137 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -58.74 -42.09 87.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.754 0.311 . . . . 0.0 110.553 -177.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.3 p -56.33 -49.9 73.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.002 175.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -65.6 -35.44 80.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.388 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.433 ' O ' HG23 ' A' ' 45' ' ' VAL . 38.4 mt-30 -66.29 -28.22 68.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.083 179.103 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -67.66 -45.91 73.9 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 174.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -64.94 -35.84 82.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.649 176.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.536 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 74.4 t80 -61.42 -50.07 74.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.69 178.124 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 41' ' ' GLN . 85.7 t -66.36 -37.94 80.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.947 0.404 . . . . 0.0 110.4 179.127 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.66 -45.06 95.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 177.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 31.2 tp -66.61 -36.42 82.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.234 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 44' ' ' PHE . 79.1 mt -62.63 -33.15 74.44 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.907 0.384 . . . . 0.0 111.567 -179.628 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -85.49 -13.33 49.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.794 0.331 . . . . 0.0 111.138 178.206 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.6 m -89.92 172.1 9.11 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.631 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.585 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 37.5 t0 -72.48 156.96 38.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.172 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.523 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 7.5 p-10 -119.92 52.14 2.15 Favored Pre-proline 0 CA--C 1.542 0.671 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -171.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.585 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 2.2 Cg_endo -82.97 -55.68 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 121.783 1.655 . . . . 0.0 111.56 177.643 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.412 ' O ' ' HD1' ' A' ' 58' ' ' TRP . 11.9 p-10 -69.6 -32.47 71.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.566 176.15 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.48 ' O ' HG23 ' A' ' 59' ' ' VAL . 8.3 tt -58.3 -49.74 76.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.888 176.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -59.71 -35.23 74.1 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.813 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.564 ' HB1' ' HA3' ' A' ' 63' ' ' GLY . . . -74.85 -30.76 61.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.98 -176.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.412 ' HD1' ' O ' ' A' ' 54' ' ' ASP . 21.1 m95 -78.77 -28.46 44.77 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.438 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 55' ' ' LEU . 89.0 t -65.4 -32.35 57.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.97 0.414 . . . . 0.0 110.536 177.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 20.0 ptp -94.86 -15.0 24.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.482 175.382 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.8 51.7 8.99 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.142 -0.551 . . . . 0.0 112.043 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -142.54 20.58 2.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.221 0.534 . . . . 0.0 109.965 -177.431 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.564 ' HA3' ' HB1' ' A' ' 57' ' ' ALA . . . -134.04 -171.92 12.72 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.263 -0.97 . . . . 0.0 113.039 -174.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.36 149.39 39.33 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -178.438 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 12.8 t -138.03 156.76 47.48 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 177.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -72.27 -41.31 66.86 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -173.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -116.45 137.1 52.43 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.314 -0.555 . . . . 0.0 110.52 -179.106 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.9 mt -76.64 -13.83 60.02 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.672 178.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.91 -48.38 82.73 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.358 178.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.417 ' O ' HG23 ' A' ' 74' ' ' VAL . 44.8 mt -67.67 -36.32 80.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.134 0.492 . . . . 0.0 110.372 176.367 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.5 -26.79 64.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.712 -0.677 . . . . 0.0 112.034 -178.451 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.44 -44.55 92.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.612 -177.089 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -73.53 -28.91 62.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.791 0.329 . . . . 0.0 110.782 178.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 70' ' ' LEU . 60.4 t -66.34 -36.61 77.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.862 0.363 . . . . 0.0 110.057 177.44 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -55.1 -41.76 72.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.885 176.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -63.11 -38.87 92.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.299 0.571 . . . . 0.0 110.041 178.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.413 HG23 ' CD2' ' A' ' 28' ' ' PHE . 76.0 mt -64.86 -48.36 84.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.398 178.044 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 74' ' ' VAL . 65.4 t -61.04 -38.37 79.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.072 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.1 -45.2 91.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.915 0.388 . . . . 0.0 111.352 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -71.89 -36.32 70.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.035 0.445 . . . . 0.0 110.348 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.412 ' O ' HG23 ' A' ' 85' ' ' VAL . 51.5 t30 -64.36 -43.82 93.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.016 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.428 ' O ' HD23 ' A' ' 82' ' ' LEU . 5.0 tt -57.43 -34.88 69.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.986 0.422 . . . . 0.0 109.882 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.549 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 46.6 t -63.57 -51.58 64.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.21 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 15.4 ptmm? -68.16 -22.84 64.83 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.972 0.415 . . . . 0.0 110.816 -177.123 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 81' ' ' ASN . 98.3 t -79.73 -32.31 14.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.446 177.064 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.415 ' HG2' ' O ' ' A' ' 83' ' ' SER . 7.0 ptt180 -80.3 -27.07 38.56 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.811 0.338 . . . . 0.0 110.477 -179.044 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 83' ' ' SER . 87.9 mt -69.55 -42.93 73.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.519 178.619 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 . . . . . 0 C--N 1.322 -0.629 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.74 174.079 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.4 ttm . . . . . 0 N--CA 1.476 0.849 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.633 ' HD1' ' HG2' ' A' ' 6' ' ' GLN . 88.5 m-85 -123.65 125.11 44.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.846 0.355 . . . . 0.0 111.06 -177.567 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.8 p -81.43 178.93 8.07 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.376 177.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.87 -45.64 82.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.792 0.329 . . . . 0.0 111.66 -176.552 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -67.42 -42.82 82.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.266 0.555 . . . . 0.0 110.572 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.633 ' HG2' ' HD1' ' A' ' 2' ' ' TYR . 25.3 tt0 -70.05 -39.0 75.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.508 -175.398 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -31.91 71.59 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.967 0.413 . . . . 0.0 110.158 177.177 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.625 ' O ' ' HG3' ' A' ' 11' ' ' LYS . . . -59.71 -35.75 75.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.899 177.501 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 -61.77 -30.83 71.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.226 0.536 . . . . 0.0 109.744 178.22 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 63.5 mt -73.18 -44.7 55.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.15 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.667 ' HA ' ' SG ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -66.5 -34.78 78.7 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.464 -178.582 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.404 ' HD1' ' O ' ' A' ' 8' ' ' ALA . 14.2 m95 -59.69 -39.07 83.32 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.857 0.36 . . . . 0.0 110.606 172.593 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.33 -40.93 42.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.597 -175.293 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.776 ' HB3' HD13 ' A' ' 48' ' ' LEU . 29.0 p -66.81 -28.38 68.32 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -175.649 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -92.81 80.13 4.69 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.43 0.633 . . . . 0.0 110.773 -178.283 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -139.05 165.85 26.04 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.484 174.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.66 -61.49 3.82 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.777 -0.725 . . . . 0.0 111.944 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.4 ptt? -156.32 139.36 15.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.057 0.456 . . . . 0.0 111.055 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.6 mt -69.61 -20.39 63.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.815 -178.002 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -58.85 -20.95 55.46 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.0 mt -84.75 -14.88 46.92 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.384 178.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -57.14 -41.43 79.11 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.017 0.437 . . . . 0.0 110.731 -179.126 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.1 t -64.51 -33.07 60.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.837 -176.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.5 m -103.16 8.49 9.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.939 0.399 . . . . 0.0 111.855 -174.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 39.7 mm -119.06 -53.61 3.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 121.026 -0.27 . . . . 0.0 111.386 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.465 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 24.7 ttt -55.04 -54.67 47.62 Favored Pre-proline 0 CA--C 1.54 0.561 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -170.411 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.465 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 60.8 Cg_endo -73.76 -34.84 5.01 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 121.423 1.415 . . . . 0.0 112.808 -176.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.437 ' CE1' ' HB3' ' A' ' 80' ' ' HIS . 22.2 m-30 -70.35 -36.47 74.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.477 -179.592 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -56.84 -41.05 77.21 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.586 176.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 26' ' ' MET . 23.0 mt-10 -56.82 -42.76 80.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.27 0.557 . . . . 0.0 110.455 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -74.65 -50.43 17.74 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.44 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.573 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 74.0 m -61.17 -47.51 85.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.394 -176.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.42 ' HD1' ' NE2' ' A' ' 41' ' ' GLN . 93.6 t80 -58.99 -35.19 72.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.046 0.451 . . . . 0.0 111.063 -178.783 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -65.28 -28.21 69.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.444 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.9 m -110.89 -26.09 9.5 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -172.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 62.2 mt -80.35 165.61 22.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.21 0.528 . . . . 0.0 111.284 -175.139 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 33.4 p -102.66 162.77 12.66 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.594 177.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -60.1 -36.2 76.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.675 0.274 . . . . 0.0 111.63 -176.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.1 m -56.93 -44.56 82.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 175.462 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -71.34 -34.56 70.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.067 177.544 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.427 ' O ' HG23 ' A' ' 45' ' ' VAL . 14.0 mm100 -65.19 -31.6 72.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.224 178.672 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -60.2 -45.68 92.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.089 0.471 . . . . 0.0 109.769 175.432 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.7 -41.84 87.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.687 175.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.554 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 72.7 t80 -62.61 -46.18 89.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.266 -178.752 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 41' ' ' GLN . 89.7 t -65.48 -38.34 82.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 178.315 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.87 -38.29 72.54 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.176 0.513 . . . . 0.0 110.561 175.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.9 -43.33 88.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.918 177.144 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.776 HD13 ' HB3' ' A' ' 14' ' ' CYS . 68.4 mt -66.98 -30.03 70.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.509 -176.679 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -80.85 -13.63 58.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.196 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.9 m -95.73 175.13 6.64 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.139 0.495 . . . . 0.0 111.668 -175.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.534 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 25.4 t70 -80.34 159.45 25.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.046 174.446 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.503 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 7.9 p-10 -117.54 52.12 1.24 Allowed Pre-proline 0 CA--C 1.546 0.794 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -169.637 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.534 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 2.2 Cg_endo -83.95 -55.0 0.03 OUTLIER 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 121.702 1.601 . . . . 0.0 110.834 174.501 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -62.3 -36.7 82.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.82 176.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.433 ' O ' HG23 ' A' ' 59' ' ' VAL . 6.4 tt -63.34 -50.33 70.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.908 -179.123 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -61.37 -35.15 76.66 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.089 0.471 . . . . 0.0 110.671 178.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.74 -32.48 74.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.512 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -79.37 -28.07 41.95 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.187 -0.205 . . . . 0.0 111.519 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 55' ' ' LEU . 72.8 t -60.94 -39.57 82.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.197 0.523 . . . . 0.0 109.761 173.679 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.6 mmt -83.15 -22.13 33.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.112 176.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.31 48.76 6.21 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.423 177.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -142.31 27.23 1.75 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.14 0.495 . . . . 0.0 110.574 -178.417 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -128.91 -179.27 15.83 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.69 -177.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -127.96 164.0 23.28 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 178.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 52.9 m -144.41 136.34 26.06 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.989 174.137 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -70.88 -34.6 71.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.619 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.5 ' ND2' ' HG ' ' A' ' 70' ' ' LEU . 16.1 p-10 -121.41 114.94 22.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.274 0.559 . . . . 0.0 109.803 175.457 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 76.7 mt -70.07 -14.84 62.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.391 -176.027 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.08 -35.81 71.35 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.186 176.093 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.5 ' HG ' ' ND2' ' A' ' 67' ' ' ASN . 42.2 mt -71.28 -39.67 71.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.328 0.585 . . . . 0.0 110.69 176.723 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.21 -23.98 63.96 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.558 -177.31 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.7 -42.39 79.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.574 -179.116 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -72.82 -36.42 67.52 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.888 178.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 49.7 t -62.97 -37.76 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.064 0.459 . . . . 0.0 109.976 178.131 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -54.62 -45.8 73.78 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.821 177.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -66.45 -34.77 78.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.952 -177.254 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 74.2 mt -65.65 -51.12 66.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.147 176.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.4 t -62.4 -42.58 96.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.076 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.55 -36.24 75.79 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.795 0.331 . . . . 0.0 111.153 179.22 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.437 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 14.3 m80 -71.97 -38.11 69.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.017 0.437 . . . . 0.0 111.489 177.383 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.485 ' O ' HG23 ' A' ' 85' ' ' VAL . 10.6 t30 -67.72 -36.46 80.64 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.076 0.465 . . . . 0.0 109.981 178.089 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.5 tp -58.36 -45.31 88.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.091 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.501 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 15.7 p -70.75 -38.94 73.55 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.901 -175.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.403 ' HG2' ' HA ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -67.58 -29.56 68.94 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.369 178.257 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 81' ' ' ASN . 59.1 t -72.56 -36.31 53.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.871 177.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 83' ' ' SER . 12.2 ptt180 -73.59 -19.66 60.81 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.017 0.437 . . . . 0.0 110.235 179.438 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 54.5 tp -84.94 -52.34 6.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.822 177.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 120.913 0.387 . . . . 0.0 111.479 -176.276 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.483 1.178 0 CA-C-O 120.639 0.257 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -128.11 132.81 48.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.241 0.543 . . . . 0.0 111.644 178.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 45.2 p -119.21 174.01 6.59 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.859 177.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.98 -35.1 79.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.191 0.519 . . . . 0.0 109.895 175.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -61.44 -44.05 97.8 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.053 175.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -62.1 -44.87 95.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.556 178.46 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.439 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 82.6 mttt -59.15 -37.87 78.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.859 176.473 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.2 -42.97 99.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.104 -177.404 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -61.68 -39.83 92.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.176 0.512 . . . . 0.0 110.216 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.9 mt -69.49 -42.44 80.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.584 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.628 ' HA ' ' SG ' ' A' ' 14' ' ' CYS . 99.5 mttt -58.49 -35.96 73.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.329 176.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.0 m95 -65.59 -31.94 73.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.833 0.349 . . . . 0.0 111.108 176.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.65 -6.39 59.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.593 -178.4 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.628 ' SG ' ' HA ' ' A' ' 11' ' ' LYS . 71.0 m -66.37 -38.27 87.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.873 0.368 . . . . 0.0 110.812 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -84.72 78.44 9.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.913 0.387 . . . . 0.0 110.677 176.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.1 tpt180 -76.58 -33.74 58.46 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.1 177.233 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 169.15 -46.69 0.22 Allowed Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.505 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.1 tpt -65.6 102.6 0.74 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.927 0.394 . . . . 0.0 110.191 177.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.7 mt -67.66 -29.86 69.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.416 -174.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -66.46 -20.45 66.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.844 0.354 . . . . 0.0 110.939 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.7 mt -89.33 -7.01 56.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.448 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -62.97 -40.89 99.09 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.289 0.566 . . . . 0.0 110.532 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.6 t -78.8 -10.55 12.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.404 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.508 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 57.4 t -97.84 -61.8 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.352 -177.46 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 66.8 mt -60.13 -40.53 83.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -172.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.774 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 25.3 ttt -61.03 -54.8 50.71 Favored Pre-proline 0 CA--C 1.54 0.569 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -174.145 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.774 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 12.4 Cg_exo -72.11 -37.1 5.01 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 121.817 1.678 . . . . 0.0 112.235 177.081 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -62.34 -34.27 76.33 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.144 178.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.423 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 32.5 t80 -55.75 -47.77 76.41 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 174.072 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -65.21 -34.84 79.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.056 0.455 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 27' ' ' PRO . 72.4 mt-10 -67.91 -49.21 63.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.474 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.551 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 24.0 p -73.57 -36.26 65.56 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.294 -0.162 . . . . 0.0 111.161 -178.072 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -52.28 -36.47 52.93 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.354 0.597 . . . . 0.0 110.516 175.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -68.72 -19.76 64.37 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.891 -178.073 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.2 m -117.44 -5.48 11.24 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -171.669 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 79.7 mt -110.47 -179.95 3.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.83 0.348 . . . . 0.0 111.083 -175.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.73 -179.0 5.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.24 174.493 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -51.63 -43.7 62.7 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 122.977 0.511 . . . . 0.0 112.026 -171.389 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.6 p -55.8 -51.04 68.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.589 -178.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -71.23 -43.52 67.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.29 0.567 . . . . 0.0 110.162 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.48 ' O ' HG23 ' A' ' 45' ' ' VAL . 94.7 mt-30 -58.2 -40.57 81.92 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.848 -178.233 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -66.57 -43.21 85.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.112 0.482 . . . . 0.0 110.451 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -65.39 -35.5 81.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.967 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.455 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 80.4 t80 -64.96 -49.71 69.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.022 177.339 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 41' ' ' GLN . 89.8 t -61.35 -44.28 98.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.849 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.8 -39.44 81.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.511 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.702 HD22 HD22 ' A' ' 70' ' ' LEU . 42.1 tp -67.26 -36.83 82.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.907 -179.153 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 44' ' ' PHE . 93.0 mt -64.04 -22.3 66.87 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.59 -177.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -78.0 -13.1 60.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.725 0.298 . . . . 0.0 111.177 179.073 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.4 m -99.32 170.62 8.52 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.696 -179.035 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.537 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 27.3 t70 -67.94 159.65 30.15 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 174.192 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.516 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 12.3 p-10 -118.88 52.46 1.72 Allowed Pre-proline 0 CA--C 1.544 0.721 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 -170.041 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.537 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 9.3 Cg_endo -86.2 -51.43 0.03 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 121.855 1.703 . . . . 0.0 110.98 174.575 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.433 ' OD1' ' HD2' ' A' ' 53' ' ' PRO . 18.4 p-10 -70.08 -32.84 71.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.023 176.145 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.461 ' O ' HG23 ' A' ' 59' ' ' VAL . 7.1 tt -60.23 -50.4 73.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.437 175.538 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -63.73 -33.3 75.33 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.335 178.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.595 ' HB1' ' HA3' ' A' ' 63' ' ' GLY . . . -59.96 -45.82 91.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.741 -178.14 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.413 ' HE1' ' C ' ' A' ' 64' ' ' ARG . 37.4 m95 -74.18 -28.76 61.44 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.386 -178.756 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 55' ' ' LEU . 95.6 t -66.64 -45.0 89.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-O 120.733 0.302 . . . . 0.0 110.523 175.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.5 ptm -78.29 -18.46 55.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.198 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.28 39.42 8.43 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.366 178.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -153.41 88.74 1.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.595 ' HA3' ' HB1' ' A' ' 57' ' ' ALA . . . 166.89 -174.44 42.23 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.148 -1.025 . . . . 0.0 113.275 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.413 ' C ' ' HE1' ' A' ' 58' ' ' TRP . 27.4 ptt180 -140.44 170.52 15.66 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 122.752 0.421 . . . . 0.0 110.184 -179.48 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 46.5 t -158.24 160.48 37.16 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.102 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -85.01 -33.96 22.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.743 -176.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -119.09 121.21 39.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.932 0.396 . . . . 0.0 110.408 -175.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 63.8 mt -75.34 -13.64 60.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.927 -177.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.96 -37.55 91.48 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.751 176.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.702 HD22 HD22 ' A' ' 47' ' ' LEU . 59.8 mt -68.07 -35.68 78.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.165 0.507 . . . . 0.0 110.682 175.692 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.45 -31.74 70.24 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.794 -178.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.8 -44.05 81.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.623 -177.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.445 ' HG2' ' O ' ' A' ' 70' ' ' LEU . 27.1 ptt? -73.77 -28.36 61.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.657 0.265 . . . . 0.0 110.858 -179.654 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 70' ' ' LEU . 89.5 t -62.97 -38.48 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.117 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.456 178.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -54.75 -41.74 70.79 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.9 177.005 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.4 mmtt -69.0 -39.44 79.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.46 -178.128 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 44.9 mm -62.93 -51.01 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.375 177.035 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 95.5 t -61.54 -42.7 95.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.047 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.77 -46.06 90.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.863 0.363 . . . . 0.0 111.226 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.44 -35.7 71.01 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.034 0.445 . . . . 0.0 110.439 -178.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.543 ' O ' HG23 ' A' ' 85' ' ' VAL . 64.3 t30 -69.63 -36.03 75.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.435 179.072 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 tt -54.08 -40.56 67.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.675 -172.139 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.1 p -66.92 -48.03 69.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.818 0.342 . . . . 0.0 111.552 -175.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 81' ' ' ASN . 16.6 ptpt -69.42 -24.19 63.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.791 -179.076 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 81' ' ' ASN . 85.7 t -74.69 -54.62 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.08 0.467 . . . . 0.0 110.776 176.272 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -70.39 -10.23 58.5 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.065 -175.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 38.9 tp -60.37 -42.48 95.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.325 175.114 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 . . . . . 0 N--CA 1.463 0.192 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.825 -178.26 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 N--CA 1.477 0.902 0 CA-C-O 120.892 0.377 . . . . 0.0 110.094 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.524 ' CE2' ' HB3' ' A' ' 6' ' ' GLN . 0.5 OUTLIER -110.0 113.83 26.86 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.719 -177.161 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.454 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 67.8 p -72.22 169.08 16.9 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.865 -171.737 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.47 -31.22 72.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.727 178.129 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -64.21 -41.58 96.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.859 175.457 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.524 ' HB3' ' CE2' ' A' ' 2' ' ' TYR . 15.9 mm100 -70.07 -30.19 67.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.422 177.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 3' ' ' THR . 35.2 mmtm -56.79 -39.05 73.4 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.078 0.465 . . . . 0.0 110.397 176.568 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.46 -36.39 80.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.937 179.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -61.21 -35.36 76.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.659 -178.626 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.8 mt -71.16 -47.57 60.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.5 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.403 ' HD2' ' O ' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -64.85 -38.43 90.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.576 -177.284 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -71.79 -22.28 61.6 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -99.31 -20.01 16.75 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.513 0.561 . . . . 0.0 112.513 -175.092 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.8 p -73.3 -26.81 61.22 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.832 0.348 . . . . 0.0 111.473 -176.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.422 ' H ' ' HG3' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -80.68 166.82 20.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.975 177.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 16' ' ' ARG . 0.1 OUTLIER 75.38 154.8 0.16 Allowed 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.941 0.776 . . . . 0.0 110.831 -177.045 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.73 -65.79 2.33 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 110.556 -1.017 . . . . 0.0 110.556 -178.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.568 ' HG2' ' HG ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -144.37 95.59 2.74 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 174.377 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.5 mt -60.84 -29.56 69.58 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -172.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -66.63 -29.8 69.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.727 0.299 . . . . 0.0 111.183 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.576 ' O ' HG12 ' A' ' 25' ' ' ILE . 76.5 mt -72.15 -33.62 67.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.108 -178.42 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -51.15 -37.26 45.24 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.041 0.448 . . . . 0.0 111.49 -179.266 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 36.0 t -61.74 -31.87 52.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.676 -177.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.415 ' C ' ' HD2' ' A' ' 27' ' ' PRO . 27.0 m -105.9 -24.32 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -176.387 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.576 HG12 ' O ' ' A' ' 21' ' ' LEU . 29.1 mm -59.25 -47.24 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 N-CA-C 111.536 0.199 . . . . 0.0 111.536 -178.098 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.653 ' HB2' ' HD3' ' A' ' 27' ' ' PRO . 79.1 mtp -61.28 -52.57 69.98 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -178.125 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.653 ' HD3' ' HB2' ' A' ' 26' ' ' MET . 53.2 Cg_exo -55.93 -41.24 79.16 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.034 1.823 . . . . 0.0 112.803 174.672 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -62.99 -36.57 83.99 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 121.304 -0.158 . . . . 0.0 111.209 178.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.615 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 88.4 t80 -61.27 -38.86 88.27 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 121.26 -0.176 . . . . 0.0 110.586 178.016 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -59.76 -45.35 92.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.555 0.693 . . . . 0.0 110.17 177.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -66.66 -51.33 57.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.6 -1.182 . . . . 0.0 111.841 -178.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.615 ' SG ' ' HA ' ' A' ' 29' ' ' PHE . 24.3 p -73.44 -24.59 60.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.546 -174.454 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -53.16 -35.44 59.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.322 177.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -63.28 -23.74 67.56 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.428 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.2 m -113.06 -7.01 13.69 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -174.236 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.525 HD22 ' HG2' ' A' ' 40' ' ' GLU . 70.5 mt -112.36 155.69 23.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.838 0.351 . . . . 0.0 111.189 -176.005 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.8 p -115.65 -172.9 2.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.325 177.003 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -55.32 -40.03 70.67 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.213 0.32 . . . . 0.0 111.52 -176.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.0 p -59.23 -50.35 74.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.221 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.525 ' HG2' HD22 ' A' ' 36' ' ' LEU . 4.7 mp0 -65.52 -37.8 87.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.131 0.491 . . . . 0.0 110.057 178.115 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.476 ' O ' HG23 ' A' ' 45' ' ' VAL . 85.5 mt-30 -61.42 -40.95 96.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.345 178.494 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -66.47 -43.81 84.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.633 0.254 . . . . 0.0 110.831 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.509 ' HB3' HD23 ' A' ' 70' ' ' LEU . 7.1 m-20 -60.07 -40.55 89.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.036 0.445 . . . . 0.0 110.675 176.634 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.437 ' HB2' ' SD ' ' A' ' 73' ' ' MET . 75.4 t80 -63.84 -48.46 76.66 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.804 179.255 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 41' ' ' GLN . 90.1 t -62.86 -36.4 75.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.99 179.018 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.89 -36.01 78.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.003 0.43 . . . . 0.0 110.627 177.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 47' ' ' LEU . 20.5 mt -68.02 -37.52 81.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.166 176.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.0 mt -66.28 -21.81 66.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.943 0.402 . . . . 0.0 111.641 -176.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -75.1 -13.02 60.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.941 0.401 . . . . 0.0 110.999 176.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.4 m -123.53 -165.57 1.35 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.073 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -80.11 -175.66 5.14 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 172.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -119.25 53.82 2.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -179.588 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.95 -55.09 0.22 Allowed 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 121.361 1.374 . . . . 0.0 112.833 -171.487 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -70.04 -35.02 73.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.678 0.275 . . . . 0.0 110.672 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.601 ' HG ' HG22 ' A' ' 74' ' ' VAL . 6.6 tt -62.81 -49.94 72.95 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 178.157 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -61.17 -38.03 85.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.388 0.613 . . . . 0.0 110.156 178.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.764 ' HB1' ' HA3' ' A' ' 63' ' ' GLY . . . -60.83 -44.79 96.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.054 -177.379 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.421 ' HE1' ' N ' ' A' ' 65' ' ' CYS . 14.6 m95 -72.43 -28.84 63.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.557 0.218 . . . . 0.0 111.203 -178.436 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 55' ' ' LEU . 93.0 t -66.76 -43.67 89.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.973 0.416 . . . . 0.0 110.3 174.66 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 95.3 mmm -77.98 -19.18 54.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.116 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.24 29.04 34.74 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.186 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -145.72 87.79 1.8 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 -179.201 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.764 ' HA3' ' HB1' ' A' ' 57' ' ' ALA . . . 159.72 168.77 22.16 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 119.918 -1.134 . . . . 0.0 113.339 175.508 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -120.26 137.0 54.47 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.421 ' N ' ' HE1' ' A' ' 58' ' ' TRP . 46.1 t -93.45 150.48 20.42 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 -178.231 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -59.81 -40.9 89.95 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 123.762 0.664 . . . . 0.0 111.167 -177.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -151.0 156.99 42.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.007 177.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 32.3 mt -75.73 -14.26 60.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.511 -176.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.76 -47.01 92.95 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.766 -0.73 . . . . 0.0 111.517 173.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.509 HD23 ' HB3' ' A' ' 43' ' ' ASP . 97.9 mt -67.37 -44.08 79.84 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.069 0.461 . . . . 0.0 110.172 175.635 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.32 -29.61 69.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.536 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.58 ' O ' ' HG2' ' A' ' 76' ' ' LYS . . . -60.08 -41.41 92.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.902 178.567 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.463 ' HE2' ' HA ' ' A' ' 70' ' ' LEU . 60.9 mtm -63.59 -44.79 93.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.156 0.503 . . . . 0.0 109.862 178.528 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.601 HG22 ' HG ' ' A' ' 55' ' ' LEU . 37.0 t -61.66 -41.19 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.605 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -58.15 -40.15 80.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.415 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 57.2 mmtt -67.63 -40.93 84.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.076 0.465 . . . . 0.0 110.234 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 74.1 mt -64.85 -45.56 94.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.206 177.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 74' ' ' VAL . 99.0 t -62.04 -39.41 83.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.736 178.126 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.63 -43.05 97.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.968 0.413 . . . . 0.0 110.816 178.35 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -71.18 -36.17 71.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.225 0.536 . . . . 0.0 110.148 178.233 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.436 ' O ' HG23 ' A' ' 85' ' ' VAL . 55.8 t30 -65.65 -33.72 76.55 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.842 178.658 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 31.7 tp -53.67 -38.9 64.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.043 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.0 t -65.6 -36.74 84.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.261 176.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -65.45 -33.64 76.41 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.186 176.563 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 81' ' ' ASN . 59.3 t -64.61 -36.52 77.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.383 178.071 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -76.63 -48.21 19.8 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.073 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 tt -64.57 -50.71 66.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.182 0.515 . . . . 0.0 109.899 -179.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 . . . . . 0 C--N 1.323 -0.587 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.625 179.626 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.638 0.256 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.564 ' HB2' ' HE1' ' A' ' 33' ' ' PHE . 86.1 m-85 -122.41 145.46 48.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.895 0.379 . . . . 0.0 110.827 -178.125 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.423 ' H ' ' HB2' ' A' ' 6' ' ' GLN . 1.3 p -138.12 -170.67 2.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.863 -178.057 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.67 -45.63 93.42 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -174.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -66.91 -36.71 82.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.153 0.502 . . . . 0.0 110.203 -178.263 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.481 ' O ' HG13 ' A' ' 10' ' ' ILE . 17.8 mm-40 -59.25 -38.28 79.65 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.819 175.665 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -57.48 -38.1 73.98 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.904 0.383 . . . . 0.0 110.698 178.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.69 -42.79 85.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.317 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.433 ' HD2' ' OE1' ' A' ' 6' ' ' GLN . 75.0 mtt180 -64.51 -36.79 85.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.39 178.516 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 6' ' ' GLN . 88.0 mt -64.46 -43.29 96.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.3 176.729 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -60.28 -35.23 75.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.692 177.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -64.53 -23.93 67.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.796 0.331 . . . . 0.0 111.4 176.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.32 12.24 18.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.478 -179.307 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.4 p -67.29 -26.34 66.49 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 176.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 71.51 108.08 0.06 Allowed 'General case' 0 CA--C 1.528 0.129 0 O-C-N 124.185 0.928 . . . . 0.0 110.645 177.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.46 ' HD3' ' H ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -59.72 132.77 54.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.464 -177.363 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 168.31 -44.41 0.23 Allowed Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.986 -0.626 . . . . 0.0 111.711 -177.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.521 ' HE2' ' HB2' ' A' ' 20' ' ' GLU . 24.5 ptm -153.56 138.49 17.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.796 0.331 . . . . 0.0 110.132 175.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.3 mt -81.56 -23.0 37.46 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.347 -175.412 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.521 ' HB2' ' HE2' ' A' ' 18' ' ' MET . 5.9 mm-40 -62.08 -20.85 64.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.331 -177.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 28.1 mt -81.7 -40.32 22.95 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.914 177.164 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -61.72 -42.26 98.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.945 0.402 . . . . 0.0 110.924 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.0 m -72.4 -10.78 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -175.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.0 m -106.37 -14.91 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.484 -0.486 . . . . 0.0 111.339 177.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 73.6 mt -94.26 -57.29 4.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.511 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.654 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 27.3 ttt -61.55 -53.06 65.14 Favored Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -173.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.654 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 48.6 Cg_exo -58.62 -30.28 91.64 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 121.978 1.785 . . . . 0.0 112.169 177.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 76' ' ' LYS . 92.6 t80 -69.2 -45.25 70.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.101 178.431 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.408 ' O ' ' HB2' ' A' ' 33' ' ' PHE . 69.9 t80 -60.83 -39.71 90.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.468 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.3 -41.17 79.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.962 0.411 . . . . 0.0 111.587 179.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -83.22 -47.14 11.87 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.733 -178.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.5 t -81.31 -17.39 49.43 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.216 -169.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.564 ' HE1' ' HB2' ' A' ' 2' ' ' TYR . 67.7 t80 -48.94 -39.09 24.96 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 122.658 0.383 . . . . 0.0 111.941 -177.487 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -69.2 -23.71 63.94 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.785 0.326 . . . . 0.0 111.625 -178.082 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.5 m -101.72 -23.86 14.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.733 0.302 . . . . 0.0 111.535 -176.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.442 ' HB3' ' HG3' ' A' ' 41' ' ' GLN . 91.7 mt -72.13 136.06 46.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.959 0.409 . . . . 0.0 111.171 -178.098 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 61.2 p -84.41 163.96 19.19 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.294 176.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.61 -40.08 74.72 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.452 176.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.8 m -58.21 -51.93 67.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.086 178.524 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -61.9 -48.08 82.08 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.622 0.725 . . . . 0.0 110.119 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.557 ' HB3' ' CE2' ' A' ' 2' ' ' TYR . 69.0 mt-30 -61.05 -35.14 76.15 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.762 -1.108 . . . . 0.0 112.499 -175.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -75.11 -46.34 35.16 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.824 0.345 . . . . 0.0 110.975 -178.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -69.31 -33.58 73.37 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.289 -177.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.445 ' HD1' ' HB3' ' A' ' 73' ' ' MET . 70.0 t80 -61.56 -50.25 73.38 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.803 177.533 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.7 t -70.01 -38.6 75.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.759 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.68 -32.11 68.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.567 178.447 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.494 HD13 HD13 ' A' ' 70' ' ' LEU . 59.5 tp -64.94 -39.63 93.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.286 -179.66 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.0 mt -69.25 -17.99 63.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.198 -173.417 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -68.27 -40.34 81.87 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -176.36 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.5 m -124.29 113.31 18.07 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.398 -179.049 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 t70 51.21 -160.3 0.09 Allowed 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.582 176.111 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.51 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 9.4 p-10 -155.64 52.58 0.7 Allowed Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.121 176.426 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.51 ' HD3' ' N ' ' A' ' 52' ' ' ASP . 3.5 Cg_exo -75.02 -48.68 0.16 Allowed 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.307 2.005 . . . . 0.0 112.53 -171.118 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -66.62 -34.43 77.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.194 0.521 . . . . 0.0 110.053 178.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.3 tt -71.5 -51.75 21.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.069 -178.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -56.81 -39.12 73.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.051 178.215 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.23 -52.05 66.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.32 -176.094 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.541 ' HB2' HG11 ' A' ' 74' ' ' VAL . 18.2 m95 -77.9 -31.09 50.99 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.585 -174.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 77.9 t -68.86 -45.58 80.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 110.91 177.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.2 mmt -82.6 -13.54 56.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.897 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.3 47.27 90.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.832 178.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -144.03 28.46 1.39 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.439 0.161 . . . . 0.0 111.1 -175.558 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -168.6 -165.65 26.35 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 119.715 -1.231 . . . . 0.0 113.548 -177.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -141.8 158.96 43.16 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 -178.108 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.58 ' SG ' ' HB2' ' A' ' 71' ' ' ALA . 28.4 p -105.61 166.18 10.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.663 0.268 . . . . 0.0 110.401 -179.463 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -78.48 -47.6 17.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.939 176.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -126.65 149.72 49.36 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 178.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.4 ' HA ' ' HB3' ' A' ' 71' ' ' ALA . 16.0 mt -77.4 -14.97 59.59 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -178.087 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.34 -47.76 89.5 Favored Glycine 0 CA--C 1.516 0.13 0 C-N-CA 120.537 -0.84 . . . . 0.0 111.473 176.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.494 HD13 HD13 ' A' ' 47' ' ' LEU . 40.1 mt -66.62 -35.0 79.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.957 0.408 . . . . 0.0 110.243 173.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.58 ' HB2' ' SG ' ' A' ' 65' ' ' CYS . . . -62.61 -38.04 88.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.028 179.071 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.18 -35.22 79.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.897 0.379 . . . . 0.0 110.615 177.084 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.483 ' HA ' ' CE ' ' A' ' 73' ' ' MET . 19.5 mmt -71.24 -46.74 60.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.43 177.404 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.541 HG11 ' HB2' ' A' ' 58' ' ' TRP . 61.2 t -64.04 -37.98 81.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.853 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -54.95 -45.94 74.95 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.072 177.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 96.2 mttt -65.62 -34.42 78.19 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.625 178.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 73' ' ' MET . 71.9 mt -64.94 -47.56 87.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.18 175.089 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 74' ' ' VAL . 99.1 t -59.02 -46.42 91.71 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.838 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.59 -41.16 80.63 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.218 0.532 . . . . 0.0 110.732 178.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -69.55 -38.46 77.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.523 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.443 ' O ' HG23 ' A' ' 85' ' ' VAL . 63.7 t30 -69.47 -45.93 67.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 179.335 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 69.1 mt -56.51 -30.68 63.3 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 121.0 0.429 . . . . 0.0 110.776 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.667 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 49.5 m -65.4 -49.43 69.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.402 178.638 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.463 ' HA ' HD12 ' A' ' 87' ' ' LEU . 17.4 ptmt -69.38 -22.92 63.68 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.521 -0.471 . . . . 0.0 110.861 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 81' ' ' ASN . 84.2 t -76.74 -42.55 33.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.805 0.336 . . . . 0.0 110.495 176.59 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.533 ' HG2' ' O ' ' A' ' 83' ' ' SER . 38.7 ptt180 -72.24 -15.0 61.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.967 -178.733 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.667 ' HG ' ' O ' ' A' ' 83' ' ' SER . 52.4 mt -64.49 -39.69 94.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.408 176.524 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 . . . . . 0 N--CA 1.465 0.291 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -176.581 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.535 0.207 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.524 ' OH ' HD11 ' A' ' 10' ' ' ILE . 0.5 OUTLIER 69.83 159.78 0.19 Allowed 'General case' 0 C--O 1.234 0.245 0 O-C-N 124.146 0.904 . . . . 0.0 112.259 174.653 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.1 p -136.95 155.27 49.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.486 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.9 -26.59 68.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.334 0.588 . . . . 0.0 109.832 173.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -61.34 -44.93 96.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.625 176.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.573 ' OE1' ' HD2' ' A' ' 9' ' ' ARG . 6.5 tp-100 -65.63 -37.72 87.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.498 177.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -59.99 -34.39 73.26 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.285 178.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.86 -36.87 85.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.045 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.573 ' HD2' ' OE1' ' A' ' 6' ' ' GLN . 80.2 mtt180 -63.58 -36.95 85.49 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.078 0.466 . . . . 0.0 110.111 178.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.524 HD11 ' OH ' ' A' ' 2' ' ' TYR . 62.8 mt -64.67 -44.66 96.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.305 177.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -55.67 -40.71 72.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.31 -178.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.0 m95 -72.7 -30.24 64.05 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.65 -34.8 24.96 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -171.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.0 p -66.76 -24.28 66.19 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.033 0.444 . . . . 0.0 111.232 -177.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.437 HH21 ' CG ' ' A' ' 22' ' ' ASP . 2.0 mmp_? -66.51 92.09 0.2 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.692 -178.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -103.65 -174.31 2.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.85 173.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.6 -4.86 90.18 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.163 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 22.7 ptp -118.9 132.9 56.11 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 176.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.2 mt -74.27 -24.93 59.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.736 -173.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -55.98 -41.64 75.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.759 -176.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.5 mt -73.8 -46.2 46.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.893 0.377 . . . . 0.0 110.729 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.437 ' CG ' HH21 ' A' ' 15' ' ' ARG . 22.8 t70 -61.66 -39.42 91.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.083 -177.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.6 p -74.4 -20.25 17.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.833 -176.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.6 m -99.93 10.34 7.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 121.057 0.455 . . . . 0.0 110.586 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 84.6 mt -120.46 -49.07 3.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.961 176.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.732 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 35.5 ttm -53.46 -56.01 29.01 Favored Pre-proline 0 CA--C 1.539 0.531 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -173.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.732 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 94.2 Cg_endo -89.79 -21.25 1.07 Allowed 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 121.868 1.712 . . . . 0.0 112.648 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.63 ' CE2' HG12 ' A' ' 77' ' ' ILE . 82.4 t80 -69.78 -37.02 76.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.769 -178.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -58.4 -34.89 71.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.599 177.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.423 ' OE2' ' HA ' ' A' ' 27' ' ' PRO . 31.0 mt-10 -57.7 -38.66 75.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.33 0.586 . . . . 0.0 110.443 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -85.01 -48.11 9.56 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.568 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 10.8 t -71.86 -22.6 61.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.812 -171.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -54.73 -35.65 63.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.131 0.491 . . . . 0.0 110.912 178.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -64.88 -27.83 69.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.009 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.8 t -102.25 -5.37 24.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.98 -176.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 73.3 mt -103.41 126.76 50.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.975 0.417 . . . . 0.0 111.566 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.401 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 22.3 p -90.02 164.83 14.36 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.164 175.213 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -56.53 -43.02 79.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.658 0.266 . . . . 0.0 111.038 -177.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.4 t -57.56 -42.02 82.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.055 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -70.79 -40.92 72.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.573 0.701 . . . . 0.0 109.887 177.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.464 ' O ' HG23 ' A' ' 45' ' ' VAL . 35.1 mt-30 -65.27 -35.49 81.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.82 -177.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.07 -46.7 89.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.019 0.437 . . . . 0.0 111.047 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -69.57 -32.1 70.67 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.823 -178.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.558 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 83.6 t80 -66.65 -49.34 66.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.726 176.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 41' ' ' GLN . 90.1 t -65.27 -36.7 78.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 110.745 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.97 -38.87 80.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.061 0.457 . . . . 0.0 110.918 176.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 22.8 tp -67.42 -38.54 84.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.665 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 44' ' ' PHE . 96.6 mt -60.48 -23.19 64.29 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -169.188 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -73.24 -14.78 61.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.001 0.429 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.8 m -116.55 -160.91 0.78 Allowed 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 176.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.465 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 33.1 m-20 -108.82 177.2 4.84 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 174.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.808 ' HB2' ' HB2' ' A' ' 55' ' ' LEU . 0.5 OUTLIER -123.49 63.79 27.19 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.592 -178.103 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.465 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 24.3 Cg_exo -62.73 -52.99 1.92 Allowed 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.321 2.014 . . . . 0.0 112.274 -177.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.408 ' O ' ' HD1' ' A' ' 58' ' ' TRP . 55.2 m-20 -69.3 -34.09 74.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.208 0.528 . . . . 0.0 110.146 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.808 ' HB2' ' HB2' ' A' ' 52' ' ' ASP . 67.4 mt -70.94 -38.33 72.86 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.17 -178.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -57.36 -37.15 72.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.481 0.657 . . . . 0.0 109.915 174.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.47 -26.53 64.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.298 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.408 ' HD1' ' O ' ' A' ' 54' ' ' ASP . 12.9 m95 -67.16 -35.99 80.87 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.904 0.383 . . . . 0.0 110.204 174.258 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 43.1 t -66.91 -31.48 53.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.446 177.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 92.4 mmm -89.06 -11.3 44.48 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.959 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.05 46.43 6.64 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.772 177.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -168.4 47.72 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -120.63 -179.65 16.28 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.338 -0.934 . . . . 0.0 113.472 -175.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -140.0 122.47 16.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.092 0.473 . . . . 0.0 110.657 178.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 49.0 t -142.66 108.51 5.15 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -79.94 -33.74 39.42 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.747 -173.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.4 HD21 HD12 ' A' ' 70' ' ' LEU . 13.1 p-10 -86.85 96.75 10.32 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.647 0.737 . . . . 0.0 109.306 178.203 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.1 mt -67.33 -6.81 20.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.123 -174.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.45 -41.54 99.56 Favored Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 170.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.48 ' O ' ' HG3' ' A' ' 73' ' ' MET . 13.6 mt -71.67 -48.77 45.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.075 0.464 . . . . 0.0 110.465 174.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.74 -27.43 67.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.509 -178.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.3 -50.54 73.59 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.103 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.579 ' O ' HG13 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -72.12 -29.36 64.0 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.35 -178.042 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.652 HG21 HD22 ' A' ' 55' ' ' LEU . 96.5 t -63.85 -45.82 96.01 Favored 'Isoleucine or valine' 0 C--O 1.231 0.105 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 175.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -57.18 -41.68 79.77 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.49 177.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -65.85 -33.99 77.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.739 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.63 HG12 ' CE2' ' A' ' 28' ' ' PHE . 73.4 mt -69.09 -48.14 71.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.918 0.389 . . . . 0.0 110.371 174.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.553 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 95.2 t -58.95 -39.35 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.493 -177.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.63 -38.72 72.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.344 . . . . 0.0 111.31 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -72.6 -35.65 67.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.606 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -68.85 -35.69 77.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.172 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 81.3 mt -55.51 -33.73 64.0 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -178.034 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.687 ' HA ' ' HG2' ' A' ' 86' ' ' ARG . 62.5 p -73.67 -31.1 63.29 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.752 -179.142 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -65.83 -42.72 90.23 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 173.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.94 -43.16 92.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.938 -177.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.687 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 14.9 ptm180 -72.99 -24.88 60.82 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.188 -179.29 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.691 HD22 ' HG3' ' A' ' 88' ' ' GLU . 1.0 OUTLIER -77.01 -75.59 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.752 -178.71 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.691 ' HG3' HD22 ' A' ' 87' ' ' LEU . 42.6 mt-10 -123.64 18.89 9.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.243 -176.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 70.41 -161.72 0.15 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.527 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 31.0 p-80 -143.84 167.82 21.4 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 -176.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -128.11 119.57 25.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.339 0.59 . . . . 0.0 111.076 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 37.0 t60 178.3 -65.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.446 ' O ' ' HB2' ' A' ' 94' ' ' HIS . 1.4 m-70 -144.71 124.53 13.41 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 165.082 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.446 ' HB2' ' O ' ' A' ' 93' ' ' HIS . 52.9 m-70 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.985 -169.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -137.24 119.26 15.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.998 0.428 . . . . 0.0 110.924 -176.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.6 p -99.15 -172.31 2.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.851 176.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.29 -30.69 70.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.067 0.461 . . . . 0.0 110.524 175.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -71.8 -41.18 68.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.392 178.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.556 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 17.6 mm-40 -69.64 -32.96 71.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.145 176.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -66.42 -34.03 77.05 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.832 177.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.588 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . . . -64.71 -40.53 95.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.913 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 6' ' ' GLN . 16.6 ptm180 -69.64 -28.97 66.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.083 0.468 . . . . 0.0 110.182 179.118 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 78.0 mt -74.19 -48.63 36.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.781 176.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.588 ' HG2' ' HA ' ' A' ' 8' ' ' ALA . 22.3 ptmt -62.3 -36.21 81.42 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.286 -178.073 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 16.7 m95 -72.3 -21.74 61.3 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.205 -0.309 . . . . 0.0 111.703 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.39 -49.4 11.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.706 0.288 . . . . 0.0 111.099 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.7 p -73.67 -46.42 46.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.922 0.391 . . . . 0.0 111.115 -178.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.473 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 28.0 ttm180 -81.58 169.0 17.6 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.473 ' HB2' ' O ' ' A' ' 15' ' ' ARG . 8.7 mpt_? 72.29 -56.61 0.64 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 122.893 0.477 . . . . 0.0 109.874 -172.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.97 -57.7 6.14 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 121.075 -0.583 . . . . 0.0 111.866 176.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.562 ' HB3' ' HB2' ' A' ' 21' ' ' LEU . 25.3 mmt -115.51 97.96 6.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.762 0.315 . . . . 0.0 110.976 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 72.1 mt -81.19 -25.89 36.41 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.979 0.419 . . . . 0.0 110.644 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -81.03 -31.8 34.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.981 178.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.562 ' HB2' ' HB3' ' A' ' 18' ' ' MET . 90.4 mt -94.49 -8.92 37.02 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -173.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -56.54 -38.37 71.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.295 0.569 . . . . 0.0 110.47 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.3 t -61.19 -28.06 43.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.695 -177.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.439 ' HA ' ' CD1' ' A' ' 28' ' ' PHE . 34.8 m -105.19 6.79 10.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.42 -177.64 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 82.8 mt -112.47 -65.2 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.546 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 64.6 mtp -58.95 -54.4 56.81 Favored Pre-proline 0 N--CA 1.466 0.368 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -172.076 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -68.36 -34.85 19.87 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 121.424 1.416 . . . . 0.0 112.33 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.598 ' HZ ' ' HD3' ' A' ' 84' ' ' LYS . 48.0 m-85 -69.46 -36.93 77.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.204 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -61.76 -41.4 97.64 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 177.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.546 ' HG3' ' O ' ' A' ' 26' ' ' MET . 32.5 mt-10 -61.56 -35.32 77.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.63 0.729 . . . . 0.0 110.426 178.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -72.33 -51.52 20.31 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.027 177.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.508 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 85.6 m -74.79 -24.21 58.62 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -175.456 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -52.28 -37.32 55.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.113 0.482 . . . . 0.0 111.094 177.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -70.48 -31.68 68.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.213 177.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.1 t -99.48 5.82 46.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.269 -173.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 92.5 mt -117.29 154.48 31.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.875 0.369 . . . . 0.0 110.929 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 25.1 p -96.36 170.49 9.2 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 172.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -56.08 -41.23 74.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.834 0.35 . . . . 0.0 110.828 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.9 m -54.83 -49.15 71.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.393 178.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.8 -39.1 90.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.628 0.728 . . . . 0.0 110.112 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.444 ' O ' HG23 ' A' ' 45' ' ' VAL . 42.0 mt-30 -62.29 -39.59 93.47 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.577 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -62.47 -41.08 98.53 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.467 0.651 . . . . 0.0 110.734 177.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -64.55 -42.99 95.34 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.637 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -65.25 -45.98 82.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.295 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 41' ' ' GLN . 73.0 t -61.3 -36.95 76.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 110.865 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.52 -39.7 84.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.221 175.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.48 HD13 HD12 ' A' ' 55' ' ' LEU . 10.6 mt -63.75 -35.58 81.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.873 178.361 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 98.5 mt -56.7 -35.81 68.92 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -177.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -86.54 -12.42 48.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.986 0.422 . . . . 0.0 111.435 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.0 m -87.79 -170.31 2.95 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.871 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.535 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 11.6 m-20 -91.25 169.79 10.53 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.247 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.559 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 15.2 p-10 -125.81 50.72 4.83 Favored Pre-proline 0 CA--C 1.539 0.546 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -174.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.559 ' HD3' ' N ' ' A' ' 52' ' ' ASP . 0.9 OUTLIER -84.68 -55.91 0.03 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.735 0 C-N-CA 121.673 1.582 . . . . 0.0 111.812 -179.026 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.491 ' O ' ' HD1' ' A' ' 58' ' ' TRP . 12.6 p-10 -70.5 -33.24 70.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.024 176.206 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.48 HD12 HD13 ' A' ' 47' ' ' LEU . 6.3 tt -58.89 -49.37 78.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.762 177.605 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -58.33 -39.91 80.71 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.511 178.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.28 -37.36 83.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.903 -176.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.491 ' HD1' ' O ' ' A' ' 54' ' ' ASP . 22.7 m95 -67.06 -41.56 86.23 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 120.726 0.298 . . . . 0.0 111.266 -179.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.525 ' HA ' HG22 ' A' ' 78' ' ' VAL . 48.6 t -65.67 -32.31 57.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.588 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 25.7 ttt -82.19 -21.62 36.36 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.191 -179.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.44 22.29 10.6 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.9 -0.667 . . . . 0.0 113.674 174.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 26.1 m80 -143.07 43.28 1.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 122.372 -0.487 . . . . 0.0 110.401 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.543 ' C ' ' HD2' ' A' ' 64' ' ' ARG . . . -119.05 146.85 18.39 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.027 -1.082 . . . . 0.0 113.782 -172.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.543 ' HD2' ' C ' ' A' ' 63' ' ' GLY . 4.8 mpt_? -126.52 144.02 51.01 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 170.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.406 ' HB2' ' NE1' ' A' ' 58' ' ' TRP . 15.3 t -129.41 160.82 31.92 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.218 -171.506 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -60.23 -49.75 76.36 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.896 177.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -127.05 133.9 50.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.398 -175.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 24.7 mt -75.84 -18.31 59.51 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -177.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.03 -41.29 97.91 Favored Glycine 0 N--CA 1.453 -0.195 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 173.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.452 HD22 HD11 ' A' ' 47' ' ' LEU . 16.8 mt -58.12 -49.35 77.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.446 0.641 . . . . 0.0 110.069 172.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.07 -26.49 68.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.743 -177.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.15 -51.99 66.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.728 0.299 . . . . 0.0 111.575 -178.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.423 ' HE1' HD12 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -73.62 -28.81 62.0 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.151 -178.744 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.479 ' O ' HG23 ' A' ' 78' ' ' VAL . 88.7 t -68.71 -37.42 77.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.104 0.478 . . . . 0.0 110.197 174.578 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -60.04 -37.88 81.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.979 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -65.06 -34.85 79.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.409 177.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 68.7 mt -67.98 -46.34 82.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.054 175.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.525 HG22 ' HA ' ' A' ' 59' ' ' VAL . 57.5 t -58.61 -46.52 90.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.83 179.228 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.93 -40.52 84.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.056 0.455 . . . . 0.0 111.257 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -67.91 -38.2 82.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.796 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.496 ' O ' HG23 ' A' ' 85' ' ' VAL . 64.2 t30 -69.86 -44.06 70.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.749 179.313 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.5 mt -56.75 -34.78 67.89 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 120.909 0.385 . . . . 0.0 111.284 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.623 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 23.7 m -66.65 -48.42 69.45 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.965 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.598 ' HD3' ' HZ ' ' A' ' 28' ' ' PHE . 12.2 ptmm? -69.16 -23.34 63.93 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.855 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 81' ' ' ASN . 72.5 t -75.99 -42.74 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.849 0.357 . . . . 0.0 110.271 176.541 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' ' 83' ' ' SER . 7.0 ptm180 -71.24 -20.92 62.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 -177.242 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 83' ' ' SER . 76.3 mt -61.5 -44.08 97.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.958 176.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 69.42 -37.99 0.39 Allowed 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -66.06 86.97 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.941 0.401 . . . . 0.0 110.799 -178.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -179.29 172.82 1.17 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.472 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -128.64 120.55 26.79 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.912 0.387 . . . . 0.0 110.479 175.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -63.63 135.48 56.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.964 -178.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -97.47 -12.21 22.92 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 175.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.243 0.713 0 CA-C-N 114.519 -1.218 . . . . 0.0 108.475 172.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.404 ' HB2' ' HB2' ' A' ' 6' ' ' GLN . 33.7 p90 -143.27 143.27 31.65 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.908 0.385 . . . . 0.0 111.461 -174.158 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.8 p -101.72 -176.49 3.15 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.648 174.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.23 -30.09 69.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.04 0.447 . . . . 0.0 110.447 176.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -64.06 -47.54 79.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.549 178.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.404 ' HB2' ' HB2' ' A' ' 2' ' ' TYR . 63.8 mt-30 -69.66 -35.78 75.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.566 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -61.02 -33.31 73.07 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.363 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.54 -41.79 86.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.911 0.386 . . . . 0.0 110.33 176.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -67.12 -36.43 81.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.079 0.466 . . . . 0.0 110.22 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.9 mt -64.34 -43.78 97.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.431 177.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -57.93 -38.37 75.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.953 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -72.08 -27.45 62.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.009 177.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.406 ' O ' ' HD3' ' A' ' 16' ' ' ARG . . . -77.41 -10.48 59.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.41 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.483 ' HB3' ' HB2' ' A' ' 22' ' ' ASP . 80.6 m -70.19 -28.19 65.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.144 0.497 . . . . 0.0 110.605 175.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 -84.3 83.67 7.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.613 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.406 ' HD3' ' O ' ' A' ' 13' ' ' ALA . 1.4 mpt_? -113.12 -80.82 0.59 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.929 174.067 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -129.57 -11.59 2.67 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.286 -0.959 . . . . 0.0 112.622 175.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.414 ' CG ' ' HG ' ' A' ' 21' ' ' LEU . 11.8 tpt -138.98 99.17 3.7 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.768 -0.254 . . . . 0.0 111.142 -175.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 72.7 mt -63.92 -29.53 70.69 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.002 0.43 . . . . 0.0 111.213 179.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -63.05 -19.26 64.22 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.489 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.52 ' O ' HG12 ' A' ' 25' ' ' ILE . 78.2 mt -72.85 -29.57 63.32 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-N 116.748 -0.205 . . . . 0.0 111.185 177.343 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.483 ' HB2' ' HB3' ' A' ' 14' ' ' CYS . 4.2 t70 -50.77 -38.72 49.62 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.088 0.471 . . . . 0.0 111.592 -177.584 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 38.5 t -71.02 -34.85 56.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.748 -177.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.413 ' HA ' ' CE1' ' A' ' 28' ' ' PHE . 35.2 m -102.51 2.37 10.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -173.386 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.52 HG12 ' O ' ' A' ' 21' ' ' LEU . 44.1 mm -105.28 -59.03 3.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.521 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.61 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 12.2 tmm? -61.32 -54.19 55.41 Favored Pre-proline 0 CA--C 1.54 0.573 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -171.149 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.61 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 22.5 Cg_exo -65.62 -33.15 46.31 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 121.793 1.662 . . . . 0.0 112.112 -177.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.413 ' CE1' ' HA ' ' A' ' 24' ' ' VAL . 1.5 m-85 -69.15 -36.09 77.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.081 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.549 ' HZ ' ' NE2' ' A' ' 41' ' ' GLN . 27.9 t80 -64.49 -37.32 87.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.963 177.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -58.47 -36.7 74.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.495 0.664 . . . . 0.0 110.462 178.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -76.02 -51.36 12.48 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.034 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.436 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 62.2 m -63.82 -30.99 72.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.779 0.323 . . . . 0.0 111.62 -177.124 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -54.6 -34.24 61.7 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 123.174 0.589 . . . . 0.0 111.439 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -55.93 -39.74 72.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.96 0.41 . . . . 0.0 111.007 177.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.1 m -95.5 -1.1 51.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.048 0.451 . . . . 0.0 111.233 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 96.5 mt -99.02 143.26 29.5 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.101 0.477 . . . . 0.0 110.763 176.351 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.3 p -86.89 169.81 12.19 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.181 175.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -55.57 -38.47 69.39 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.875 0.369 . . . . 0.0 111.261 177.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.5 m -58.33 -47.2 84.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.781 177.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -70.9 -34.29 71.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.395 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.549 ' NE2' ' HZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -57.96 -41.29 82.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.268 175.143 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -65.51 -45.29 84.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.708 177.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -58.71 -41.02 85.33 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.509 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.568 ' HD2' ' HB3' ' A' ' 73' ' ' MET . 31.4 t80 -67.73 -44.9 76.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.945 -178.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 41' ' ' GLN . 97.6 t -60.81 -42.86 93.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.773 0.32 . . . . 0.0 110.45 178.621 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.96 -36.09 69.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.203 177.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.23 -45.01 93.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.991 178.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.6 mt -70.14 -25.78 63.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.225 -178.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -74.09 -14.18 60.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.046 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.4 t -96.03 -168.26 1.72 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 176.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.584 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 8.7 t70 -93.25 -178.59 4.81 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 179.008 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.537 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 23.9 p30 -122.43 50.29 2.6 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -176.629 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.584 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 1.1 Cg_endo -83.89 -56.72 0.03 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 121.76 1.64 . . . . 0.0 111.71 -179.133 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.475 ' O ' ' HD1' ' A' ' 58' ' ' TRP . 37.3 t70 -69.96 -36.42 75.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.177 177.252 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.0 tt -58.68 -45.37 89.58 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.072 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -57.83 -33.95 69.18 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 121.13 0.491 . . . . 0.0 110.327 177.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.78 -29.04 61.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.783 -178.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.601 ' HZ2' ' H ' ' A' ' 65' ' ' CYS . 31.8 m95 -70.0 -35.27 74.25 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.698 177.116 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 51.2 t -68.34 -29.63 44.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.407 178.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 67.5 mtm -85.85 -14.64 44.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.497 175.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.36 44.4 5.9 Favored Glycine 0 N--CA 1.45 -0.369 0 CA-C-N 115.904 -0.589 . . . . 0.0 113.195 175.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -158.91 32.49 0.21 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.997 0.398 . . . . 0.0 110.625 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.415 ' HA3' ' CD1' ' A' ' 58' ' ' TRP . . . -98.8 173.2 26.62 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.202 -179.274 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -155.02 93.9 1.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.304 0.573 . . . . 0.0 110.96 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.601 ' H ' ' HZ2' ' A' ' 58' ' ' TRP . 86.5 m -75.44 163.2 27.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.836 179.376 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -59.17 -46.21 89.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.123 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -134.92 154.94 51.49 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.183 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.3 mt -75.15 -17.23 60.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.37 -176.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.69 -46.97 88.51 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.013 174.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 89.2 mt -71.27 -31.69 67.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.065 0.459 . . . . 0.0 110.507 176.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.91 -30.93 69.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.221 -178.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.481 ' O ' ' HG3' ' A' ' 76' ' ' LYS . . . -61.15 -30.35 70.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.968 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.568 ' HB3' ' HD2' ' A' ' 44' ' ' PHE . 17.6 mmt -65.4 -47.29 76.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.743 178.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.42 ' O ' HG23 ' A' ' 78' ' ' VAL . 38.9 t -66.22 -37.94 80.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.133 177.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -54.39 -47.23 72.94 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.251 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 72' ' ' ALA . 88.3 mttt -67.34 -34.41 77.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.146 -178.205 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 82.6 mt -66.78 -48.42 79.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.083 175.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 74' ' ' VAL . 96.9 t -62.39 -36.8 76.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.935 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.61 -41.86 86.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.044 0.449 . . . . 0.0 110.889 177.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -71.73 -44.72 63.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.569 177.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.451 ' O ' HG23 ' A' ' 85' ' ' VAL . 57.9 t30 -64.54 -36.66 84.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.22 -177.312 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.1 tp -54.66 -38.79 67.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.131 0.491 . . . . 0.0 111.028 -178.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.593 ' HA ' ' HG2' ' A' ' 86' ' ' ARG . 10.5 t -67.9 -36.99 81.18 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.478 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -70.5 -31.29 68.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.111 0.482 . . . . 0.0 110.37 175.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 81' ' ' ASN . 75.4 t -68.79 -36.2 73.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.725 178.015 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.593 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 15.9 ptm180 -81.25 -30.2 34.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.365 177.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.2 tt -59.06 -52.82 64.12 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 174.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.502 ' HB3' ' CD2' ' A' ' 90' ' ' HIS . 34.5 mt-10 -104.41 76.04 1.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.023 173.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -80.53 77.27 7.35 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.56 0.695 . . . . 0.0 109.976 -178.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.502 ' CD2' ' HB3' ' A' ' 88' ' ' GLU . 20.2 p80 -141.08 -178.42 5.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.107 176.214 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -59.59 128.53 37.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.045 0.45 . . . . 0.0 111.38 -177.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -109.82 -26.45 9.8 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.535 177.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -82.28 119.46 24.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.197 173.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 . . . . . 0 C--O 1.244 0.794 0 CA-C-O 118.397 -0.811 . . . . 0.0 110.03 -178.667 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.6 ttm . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.462 0.172 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -62.44 118.72 7.9 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 178.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.519 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 30.2 p -71.72 167.27 20.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.182 0.515 . . . . 0.0 112.118 -173.319 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.23 96.33 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.321 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -62.38 -40.01 95.05 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.242 0.544 . . . . 0.0 109.661 178.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -69.62 -31.56 69.75 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.857 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.519 ' HG3' ' O ' ' A' ' 3' ' ' THR . 60.2 mttp -61.97 -34.07 75.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.728 0.299 . . . . 0.0 110.968 176.395 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.27 -36.22 82.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.099 0.476 . . . . 0.0 110.545 177.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -67.31 -31.8 72.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.555 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 72.6 mt -64.76 -43.67 96.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.008 174.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.53 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 99.6 mttt -57.4 -41.64 80.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.586 176.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.7 m95 -63.85 -27.16 68.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.315 178.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.554 ' HB1' ' HB3' ' A' ' 48' ' ' LEU . . . -73.92 -36.85 64.73 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.868 0.366 . . . . 0.0 110.579 177.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 81.9 m -65.1 -25.79 67.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.289 0.566 . . . . 0.0 110.437 176.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.53 ' HG2' ' O ' ' A' ' 11' ' ' LYS . 15.3 mmt180 -75.83 -1.51 25.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.879 178.128 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.433 ' NE ' ' HA ' ' A' ' 16' ' ' ARG . 2.2 mmp_? -98.32 101.44 12.9 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 122.083 -0.386 . . . . 0.0 111.443 -174.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.14 -48.23 2.4 Favored Glycine 0 CA--C 1.52 0.349 0 CA-C-N 115.916 -0.584 . . . . 0.0 114.148 172.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.601 ' HB2' ' HB2' ' A' ' 21' ' ' LEU . 21.0 ptp -79.96 50.26 1.18 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.071 0.462 . . . . 0.0 111.465 -175.329 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.1 mt -53.84 -41.41 67.4 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -175.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -77.8 -20.81 52.61 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.357 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.601 ' HB2' ' HB2' ' A' ' 18' ' ' MET . 95.3 mt -86.25 -25.18 25.69 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.647 0.261 . . . . 0.0 110.348 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -52.58 -45.75 66.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.074 177.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.0 t -69.47 -28.4 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.234 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.541 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 60.9 t -85.99 -46.29 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.32 -176.054 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 80.5 mt -69.71 -33.86 58.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.671 -176.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.72 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 44.1 ttm -51.5 -53.97 44.16 Favored Pre-proline 0 CA--C 1.543 0.69 0 N-CA-C 113.067 0.765 . . . . 0.0 113.067 -175.531 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.72 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 12.7 Cg_exo -72.14 -29.68 14.22 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 121.935 1.757 . . . . 0.0 112.801 178.651 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.0 m-30 -68.24 -43.37 78.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.994 0.426 . . . . 0.0 110.08 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -56.57 -40.62 75.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.956 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -60.86 -41.95 96.92 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.914 0.388 . . . . 0.0 111.706 -176.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -85.62 -35.82 20.74 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.359 -0.382 . . . . 0.0 112.0 -178.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.478 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 73.7 m -80.58 -22.27 40.86 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -176.558 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.545 ' HA ' HD12 ' A' ' 36' ' ' LEU . 84.7 t80 -55.38 -35.09 64.91 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 -178.323 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -57.15 -36.58 70.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.028 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.3 m -96.73 -5.35 38.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.966 0.412 . . . . 0.0 110.987 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' A' ' 33' ' ' PHE . 71.6 mt -77.16 104.09 7.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.221 176.346 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.579 ' OG1' ' HG2' ' A' ' 40' ' ' GLU . 72.4 p -70.64 172.7 8.19 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 174.14 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -57.46 -38.06 73.88 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.248 0.547 . . . . 0.0 109.777 177.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.6 m -64.38 -48.72 74.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.605 177.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.579 ' HG2' ' OG1' ' A' ' 37' ' ' THR . 6.2 mm-40 -58.48 -42.98 88.76 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.626 0.727 . . . . 0.0 109.328 177.574 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.443 ' O ' HG23 ' A' ' 45' ' ' VAL . 2.3 mm-40 -63.09 -39.69 95.45 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.298 178.309 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -64.2 -46.22 84.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.848 0.356 . . . . 0.0 110.904 -176.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.503 ' HB3' HD23 ' A' ' 70' ' ' LEU . 0.8 OUTLIER -60.04 -41.36 92.11 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.701 178.242 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.549 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 18.9 t80 -67.03 -45.06 78.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.798 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 41' ' ' GLN . 79.4 t -64.39 -40.55 89.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 120.567 0.222 . . . . 0.0 111.201 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.75 -39.44 84.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.356 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.522 ' HB3' ' OD2' ' A' ' 52' ' ' ASP . 9.6 mt -67.86 -49.84 59.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.05 177.193 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.554 ' HB3' ' HB1' ' A' ' 13' ' ' ALA . 92.7 mt -56.42 -18.65 11.85 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.66 1.355 . . . . 0.0 114.66 -169.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -62.04 -49.78 74.65 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.43 -0.508 . . . . 0.0 111.824 -175.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.3 m -159.9 116.53 2.52 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.795 0.331 . . . . 0.0 111.399 176.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.7 t70 67.42 123.67 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 114.701 -1.136 . . . . 0.0 112.854 173.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.522 ' OD2' ' HB3' ' A' ' 47' ' ' LEU . 3.0 m-20 -118.01 78.13 12.84 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.885 -178.143 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -74.25 -44.25 0.45 Allowed 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.228 1.952 . . . . 0.0 112.025 -178.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.21 -44.67 92.27 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.263 0.554 . . . . 0.0 109.905 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.452 ' O ' HG23 ' A' ' 59' ' ' VAL . 0.6 OUTLIER -60.72 -49.91 75.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.139 179.774 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -60.28 -39.64 87.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.329 -177.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.98 -43.71 64.7 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -176.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.411 ' HE1' ' HB2' ' A' ' 65' ' ' CYS . 27.0 m95 -70.54 -29.59 66.1 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.53 -176.368 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 55' ' ' LEU . 78.1 t -69.45 -41.33 80.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 C-N-CA 121.228 -0.189 . . . . 0.0 111.103 178.381 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 18.3 ptp -77.51 -22.35 51.31 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.834 -178.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.5 30.7 6.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.426 178.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -131.52 42.49 3.18 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 178.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.435 ' O ' ' HB2' ' A' ' 64' ' ' ARG . . . -84.37 -118.43 0.77 Allowed Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 114.969 -1.014 . . . . 0.0 114.321 -169.405 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 63' ' ' GLY . 55.4 mtt180 70.1 132.87 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.76 0.824 . . . . 0.0 109.755 -164.608 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.411 ' HB2' ' HE1' ' A' ' 58' ' ' TRP . 52.1 t -155.11 164.51 38.75 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.249 -173.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -77.38 -34.05 55.02 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.556 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.539 ' ND2' ' HG ' ' A' ' 70' ' ' LEU . 19.2 t30 -113.36 112.21 23.28 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.208 -177.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 24.6 mt -75.18 -14.2 60.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.606 -178.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -59.93 -38.85 94.75 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.279 174.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.539 ' HG ' ' ND2' ' A' ' 67' ' ' ASN . 96.1 mt -61.45 -43.38 98.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.239 0.542 . . . . 0.0 110.216 175.328 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.2 -31.26 69.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.529 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.87 -45.83 85.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.513 -177.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.757 ' HA ' ' HE2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -74.19 -28.51 61.31 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.103 179.837 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 70' ' ' LEU . 90.9 t -69.03 -39.92 80.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.646 0.26 . . . . 0.0 111.06 178.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -59.4 -34.69 72.76 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.982 0.42 . . . . 0.0 110.866 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.757 ' HE2' ' HA ' ' A' ' 73' ' ' MET . 40.5 mttm -62.44 -38.08 88.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.08 177.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 75.5 mt -68.63 -38.79 79.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.073 177.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.527 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 76.1 t -60.08 -42.55 90.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.532 178.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.79 -41.09 77.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.052 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -72.16 -39.87 68.4 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.966 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.527 ' ND2' ' HA ' ' A' ' 78' ' ' VAL . 8.0 p30 -67.32 -33.44 75.27 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.163 -178.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.3 tp -56.77 -38.32 72.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.35 0.595 . . . . 0.0 109.814 173.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.442 ' HA ' ' HG2' ' A' ' 86' ' ' ARG . 33.6 m -70.19 -31.15 68.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.708 177.155 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -66.51 -35.68 80.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.171 175.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 81' ' ' ASN . 59.3 t -69.24 -37.21 75.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.84 -179.555 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.442 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 30.0 ptt180 -79.11 -16.7 56.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.248 0.547 . . . . 0.0 110.789 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 52.5 tp -90.36 -48.19 7.28 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.637 175.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 85' ' ' VAL . 14.5 mt-10 51.86 -99.88 0.08 Allowed 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 123.744 0.818 . . . . 0.0 112.63 -177.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -145.68 44.89 1.29 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.391 -172.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 54.6 m80 -63.07 -34.27 77.23 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 171.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 32.4 p80 -126.83 140.22 52.52 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 169.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -137.51 123.23 19.91 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -173.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -172.0 157.47 4.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.027 171.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.9 p80 . . . . . 0 C--O 1.246 0.875 0 CA-C-O 118.575 -0.726 . . . . 0.0 110.275 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 tpt . . . . . 0 N--CA 1.482 1.165 0 CA-C-O 120.431 0.158 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.628 ' HA ' ' OE1' ' A' ' 6' ' ' GLN . 85.0 m-85 62.48 103.94 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.154 0.502 . . . . 0.0 111.144 -175.467 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.51 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 75.5 p -70.06 168.46 15.46 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.6 -177.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.47 -32.74 74.27 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.899 175.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -71.08 -40.38 71.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.345 176.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.628 ' OE1' ' HA ' ' A' ' 2' ' ' TYR . 58.8 tt0 -68.83 -29.7 68.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.927 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 3' ' ' THR . 38.1 mmtm -54.6 -31.99 57.96 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.504 176.12 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.31 -48.76 78.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.979 -174.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -62.39 -31.18 71.81 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.947 0.403 . . . . 0.0 111.096 -177.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.3 mt -69.9 -51.84 36.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.27 177.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -67.49 -39.09 85.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.74 -174.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 13.6 m95 -66.23 -23.25 66.39 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.716 0.294 . . . . 0.0 111.165 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.434 ' O ' ' HB3' ' A' ' 48' ' ' LEU . . . -112.03 25.08 11.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.909 0.385 . . . . 0.0 111.098 -175.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.6 t -64.17 -26.16 68.4 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.743 -178.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.8 mtp180 72.9 166.5 0.3 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.462 0.705 . . . . 0.0 111.482 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -147.43 17.42 1.17 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.39 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.88 -44.26 71.3 Favored Glycine 0 CA--C 1.522 0.521 0 CA-C-N 115.407 -0.815 . . . . 0.0 115.077 -171.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 15.7 tpt -149.22 128.22 12.69 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 117.699 0.75 . . . . 0.0 111.026 -171.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.455 ' O ' HG22 ' A' ' 23' ' ' VAL . 89.2 mt -56.34 -45.42 80.41 Favored 'General case' 0 C--N 1.332 -0.174 0 O-C-N 123.148 0.28 . . . . 0.0 111.719 -178.637 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -57.16 -30.4 64.44 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.708 0.29 . . . . 0.0 111.443 178.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.687 HD11 HG21 ' A' ' 59' ' ' VAL . 4.0 mm? -79.71 -55.53 4.94 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 176.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.32 -45.38 65.56 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.668 -176.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.531 HG23 HG13 ' A' ' 24' ' ' VAL . 34.0 m -70.57 -21.29 22.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -173.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.543 HG21 ' HB2' ' A' ' 81' ' ' ASN . 32.5 m -107.58 3.67 9.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.456 -0.498 . . . . 0.0 111.826 -177.087 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 21' ' ' LEU . 70.7 mt -103.84 -53.08 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 179.128 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.519 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 1.3 tmt? -56.64 -54.69 51.07 Favored Pre-proline 0 CA--C 1.54 0.588 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -171.519 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.519 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 58.7 Cg_endo -74.11 -25.87 13.39 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 121.492 1.462 . . . . 0.0 111.989 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.582 ' HZ ' ' HB3' ' A' ' 76' ' ' LYS . 78.6 t80 -69.32 -36.19 76.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.549 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -58.37 -38.87 78.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.879 0.371 . . . . 0.0 110.003 176.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -65.3 -41.63 93.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.502 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -70.6 -52.02 24.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.463 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.5 t -74.86 -20.8 59.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.199 -170.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -55.58 -36.04 66.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.96 0.409 . . . . 0.0 110.753 176.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -62.52 -32.32 73.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.254 177.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.1 t -92.68 -35.42 13.5 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.106 -176.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 78.7 mt -83.92 171.16 13.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.628 0.728 . . . . 0.0 111.868 -174.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.1 p -119.06 168.43 10.84 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.803 174.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -60.83 -33.79 73.57 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -177.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.4 m -54.9 -44.42 74.14 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.035 0.445 . . . . 0.0 110.887 175.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -71.71 -41.83 68.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.385 0.612 . . . . 0.0 110.31 177.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.523 ' O ' HG23 ' A' ' 45' ' ' VAL . 48.1 mt-30 -62.7 -37.87 88.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.399 -178.681 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -56.89 -45.79 82.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.192 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -62.48 -40.17 95.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.028 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -65.47 -44.37 87.4 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.113 176.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 41' ' ' GLN . 93.0 t -63.32 -45.62 97.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.1 -179.039 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.36 -34.29 73.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.969 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 33.7 tp -62.91 -40.86 98.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.632 177.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.434 ' HB3' ' O ' ' A' ' 13' ' ' ALA . 89.6 mt -59.54 -33.02 70.87 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.295 0.479 . . . . 0.0 112.295 -173.229 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -78.07 -14.52 59.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.233 0.539 . . . . 0.0 110.592 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.4 t -97.68 -154.72 0.46 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.435 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 1.4 t0 -123.14 171.79 9.05 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 177.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.519 ' O ' ' HB2' ' A' ' 56' ' ' PHE . 8.0 m-20 -124.5 66.62 45.94 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.979 -173.387 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.435 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 4.8 Cg_exo -76.38 -56.46 0.05 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.906 1.738 . . . . 0.0 111.832 -177.367 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.501 ' O ' ' HD1' ' A' ' 58' ' ' TRP . 5.7 p-10 -70.47 -41.09 73.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.777 178.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.507 HD22 HG21 ' A' ' 74' ' ' VAL . 91.1 mt -65.58 -36.96 85.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.874 -176.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.519 ' HB2' ' O ' ' A' ' 52' ' ' ASP . 32.8 t80 -56.58 -36.99 69.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.252 0.549 . . . . 0.0 110.044 173.439 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.56 ' HB1' ' O ' ' A' ' 62' ' ' HIS . . . -71.35 -31.2 67.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.172 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.501 ' HD1' ' O ' ' A' ' 54' ' ' ASP . 22.7 m95 -63.31 -45.29 92.04 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.822 0.344 . . . . 0.0 110.531 176.285 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.687 HG21 HD11 ' A' ' 21' ' ' LEU . 40.2 t -63.21 -37.68 80.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.295 0.569 . . . . 0.0 110.342 178.416 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.2 mmt -79.14 -7.67 58.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.215 179.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.6 26.28 43.24 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.314 -0.47 . . . . 0.0 113.821 171.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.56 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 2.3 m-70 -154.66 83.16 1.1 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 117.191 0.495 . . . . 0.0 111.528 179.062 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 174.14 151.71 8.5 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 119.622 -1.275 . . . . 0.0 113.349 176.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.419 ' C ' ' HE1' ' A' ' 58' ' ' TRP . 45.6 mtm180 -103.44 175.06 5.6 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 174.329 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 21.0 t -125.99 156.02 40.5 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.583 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -68.46 -43.76 76.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.059 0.457 . . . . 0.0 110.084 177.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -140.2 128.91 23.09 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.134 178.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 58.6 mt -73.81 -11.25 60.32 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -169.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.86 -47.69 84.37 Favored Glycine 0 C--N 1.324 -0.127 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.836 176.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.451 ' O ' HG23 ' A' ' 74' ' ' VAL . 74.0 mt -63.88 -47.21 81.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.071 0.463 . . . . 0.0 110.154 175.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.62 -28.41 68.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.074 -177.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.19 -50.84 70.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.691 0.282 . . . . 0.0 111.393 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -28.05 61.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.747 0.308 . . . . 0.0 110.725 179.373 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.507 HG21 HD22 ' A' ' 55' ' ' LEU . 73.7 t -65.92 -36.64 78.0 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.353 174.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -54.84 -41.99 71.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.596 177.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.594 ' HE2' ' HA ' ' A' ' 76' ' ' LYS . 8.2 mmpt? -58.97 -40.01 83.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.693 177.4 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.8 mt -69.97 -46.96 71.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.525 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.525 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 93.1 t -60.53 -43.87 95.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.832 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.98 -35.45 75.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.908 0.385 . . . . 0.0 110.806 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -71.27 -36.47 71.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.034 0.445 . . . . 0.0 109.875 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.543 ' HB2' HG21 ' A' ' 24' ' ' VAL . 21.1 t-20 -67.85 -39.39 83.81 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.807 177.621 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 89.4 mt -55.84 -33.12 64.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.474 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.48 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 32.0 m -66.01 -47.26 75.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.576 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.424 ' HE2' ' HB2' ' A' ' 84' ' ' LYS . 6.2 ptmm? -69.98 -26.03 63.89 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.263 178.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 53.2 t -73.44 -46.13 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.74 177.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' ' 83' ' ' SER . 36.4 ptt180 -69.69 -19.36 63.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.633 -179.101 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.448 ' HG ' ' HB2' ' A' ' 89' ' ' HIS . 62.6 tp -74.35 -23.41 59.02 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.515 177.599 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 58.96 29.06 18.46 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.353 178.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.448 ' HB2' ' HG ' ' A' ' 87' ' ' LEU . 6.9 t-80 -83.24 62.96 6.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.664 0.268 . . . . 0.0 111.391 -173.556 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 71.23 -49.83 0.68 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.002 0.921 . . . . 0.0 113.073 174.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.21 118.45 19.74 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -178.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 77.29 122.85 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.608 0 O-C-N 124.528 1.143 . . . . 0.0 110.113 -172.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -131.0 138.35 49.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.847 -175.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 57.6 t60 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.581 -0.723 . . . . 0.0 109.149 173.11 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.478 0.97 0 CA-C-O 120.905 0.383 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -133.4 99.96 4.68 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 176.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.533 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 24.5 p -85.74 -178.64 6.67 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.177 -176.287 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.04 -39.72 72.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.699 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -60.9 -44.5 97.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.974 0.416 . . . . 0.0 110.641 178.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -69.64 -32.01 70.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 3' ' ' THR . 34.5 mmtp -56.54 -41.36 76.67 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.023 0.439 . . . . 0.0 110.366 177.191 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.03 -45.07 74.96 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.439 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -61.96 -41.36 97.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.934 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 87.6 mt -64.23 -45.6 95.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.584 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.611 ' HA ' ' SG ' ' A' ' 14' ' ' CYS . 54.6 mtmt -66.3 -35.38 80.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.294 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.6 m0 -60.39 -33.88 73.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.661 174.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.416 ' O ' ' HB3' ' A' ' 48' ' ' LEU . . . -92.38 -2.29 56.45 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.327 -0.397 . . . . 0.0 112.064 -177.191 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.611 ' SG ' ' HA ' ' A' ' 11' ' ' LYS . 84.4 m -70.83 -24.89 62.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.408 0.623 . . . . 0.0 110.366 177.272 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 15' ' ' ARG . 56.0 mtt180 -91.83 -164.63 1.21 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.906 179.185 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 75.5 142.38 0.07 Allowed 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.612 0.57 . . . . 0.0 110.096 -178.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.68 -63.22 4.49 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.974 177.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.599 ' SD ' ' HG ' ' A' ' 21' ' ' LEU . 18.2 ttt -131.83 127.39 36.5 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.136 0.493 . . . . 0.0 111.638 -174.498 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.6 mt -75.65 -37.89 59.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.345 -176.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.403 ' HB2' ' CE ' ' A' ' 18' ' ' MET . 6.8 mp0 -64.92 -27.92 69.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 0.0 110.722 179.154 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.599 ' HG ' ' SD ' ' A' ' 18' ' ' MET . 20.8 mt -68.64 -39.15 80.86 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.75 179.151 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.84 -45.48 59.73 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.241 -0.436 . . . . 0.0 112.015 179.009 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.457 HG21 ' HB2' ' A' ' 94' ' ' HIS . 28.3 m -83.72 -10.6 11.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -173.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.405 HG22 ' HA ' ' A' ' 21' ' ' LEU . 33.7 m -110.53 -33.76 2.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -177.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 68.5 mt -63.77 -41.93 94.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -176.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.665 ' HB2' ' HD3' ' A' ' 27' ' ' PRO . 72.5 mtm -61.78 -53.94 55.92 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-O 119.388 -0.339 . . . . 0.0 111.657 -178.217 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.665 ' HD3' ' HB2' ' A' ' 26' ' ' MET . 46.0 Cg_exo -58.72 -41.47 63.12 Favored 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 122.151 1.901 . . . . 0.0 112.627 176.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -64.82 -37.06 86.34 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.78 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -61.49 -43.82 98.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.368 177.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.55 ' HG3' ' O ' ' A' ' 26' ' ' MET . 26.6 mt-10 -56.28 -41.09 75.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.294 0.569 . . . . 0.0 110.686 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -74.7 -51.39 14.42 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.798 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 58.0 m -77.23 -22.97 51.43 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -170.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -54.35 -39.12 66.81 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.777 0.322 . . . . 0.0 111.498 -178.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -69.73 -22.37 63.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.615 -178.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.9 m -99.58 -34.62 10.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.795 -175.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.9 mt -76.79 139.72 40.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.13 0.49 . . . . 0.0 111.843 -173.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.2 p -85.69 174.53 9.32 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.925 173.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -56.83 -46.99 81.32 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 111.476 0.176 . . . . 0.0 111.476 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.8 m -58.78 -45.24 90.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.742 0.306 . . . . 0.0 111.259 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.427 ' HB3' ' SD ' ' A' ' 73' ' ' MET . 44.8 mt-10 -65.34 -42.88 92.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.427 0.632 . . . . 0.0 110.151 177.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.445 ' O ' HG23 ' A' ' 45' ' ' VAL . 35.6 mt-30 -60.25 -40.3 89.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.333 177.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -61.2 -46.14 91.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.605 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.436 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 2.1 m-20 -67.49 -32.55 73.44 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.727 178.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -63.98 -45.7 87.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.26 177.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 41' ' ' GLN . 74.1 t -64.78 -41.05 91.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.167 177.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.43 -33.1 70.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.562 176.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 43' ' ' ASP . 72.2 mt -65.65 -38.17 88.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.034 177.142 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.466 HD22 ' HA ' ' A' ' 14' ' ' CYS . 88.1 mt -66.44 -27.38 67.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.255 0.55 . . . . 0.0 110.978 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -76.17 -13.71 60.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.937 177.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.4 m -102.02 171.33 7.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.195 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.651 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 0.7 OUTLIER -79.5 -169.34 1.87 Allowed 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 176.061 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.571 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 5.6 p-10 -116.02 48.11 0.59 Allowed Pre-proline 0 CA--C 1.545 0.776 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -175.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.651 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 7.0 Cg_endo -89.51 -49.1 0.03 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 121.539 1.493 . . . . 0.0 111.326 177.14 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.448 ' H ' ' HD2' ' A' ' 53' ' ' PRO . 6.4 m-20 -66.45 -39.56 88.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.363 177.174 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.456 ' O ' HG23 ' A' ' 59' ' ' VAL . 95.9 mt -60.99 -50.39 73.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.516 179.229 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -58.85 -46.3 88.07 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.473 0.654 . . . . 0.0 110.786 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.452 ' HB1' ' CA ' ' A' ' 63' ' ' GLY . . . -68.97 -35.97 77.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.704 -172.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -75.98 -30.75 58.7 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.726 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 55' ' ' LEU . 69.9 t -66.12 -40.36 86.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.622 0.249 . . . . 0.0 110.58 176.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.8 ptm -78.82 -21.25 47.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.039 0.447 . . . . 0.0 110.306 177.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.05 35.04 10.09 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.984 176.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -128.18 -3.09 5.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.107 0.48 . . . . 0.0 110.639 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.452 ' CA ' ' HB1' ' A' ' 57' ' ' ALA . . . -94.78 160.71 23.44 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.291 -0.957 . . . . 0.0 112.616 -176.212 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -129.02 140.58 51.56 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 49.7 t -149.67 122.43 8.67 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 177.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -67.08 -33.29 75.18 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.033 -175.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -82.61 95.49 7.8 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 50.0 mt -72.11 -14.5 61.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.901 -178.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.82 -47.14 92.7 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 169.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 66.6 mt -62.47 -41.37 98.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.232 0.539 . . . . 0.0 110.326 174.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.07 -24.41 66.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.828 -178.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.497 ' O ' ' HG2' ' A' ' 76' ' ' LYS . . . -57.44 -50.34 73.34 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.249 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.427 ' SD ' ' HB3' ' A' ' 40' ' ' GLU . 2.9 mpp? -68.98 -30.1 68.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.737 0.303 . . . . 0.0 110.948 179.055 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.488 ' O ' HG23 ' A' ' 78' ' ' VAL . 58.2 t -65.37 -42.55 93.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 176.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -58.89 -38.49 78.97 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.867 178.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 25.7 mmmt -59.49 -40.86 88.38 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.824 177.311 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 73.4 mt -71.26 -46.38 65.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.691 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.659 ' HA ' ' OD1' ' A' ' 81' ' ' ASN . 89.6 t -55.53 -47.32 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.397 -178.145 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.35 -38.59 80.76 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.125 0.488 . . . . 0.0 110.843 179.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -71.73 -46.88 57.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.938 -177.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.659 ' OD1' ' HA ' ' A' ' 78' ' ' VAL . 1.2 p-10 -70.81 -39.63 72.97 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.272 -176.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 82' ' ' LEU . 23.4 mt -61.78 -32.29 72.55 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.769 0.318 . . . . 0.0 111.025 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.4 t -64.22 -46.54 83.41 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.785 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.604 ' HG2' ' O ' ' A' ' 81' ' ' ASN . 14.4 ptmm? -70.04 -25.91 63.78 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.554 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 81' ' ' ASN . 70.2 t -70.24 -38.91 76.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.063 0.459 . . . . 0.0 110.072 178.154 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -70.32 -34.65 72.95 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.256 174.611 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.656 ' HG ' ' H ' ' A' ' 89' ' ' HIS . 57.2 tp -66.78 -60.97 2.21 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.391 -178.237 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 61.0 10.4 2.8 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.656 ' H ' ' HG ' ' A' ' 87' ' ' LEU . 23.4 t60 -94.56 17.33 13.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.341 0.591 . . . . 0.0 110.774 -174.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -129.68 159.21 37.16 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.198 175.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -84.68 165.58 17.78 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.744 0.307 . . . . 0.0 110.662 -179.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -71.59 107.33 4.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.78 -178.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 43.3 t-80 -67.64 -19.04 65.17 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.395 -175.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.457 ' HB2' HG21 ' A' ' 23' ' ' VAL . 4.3 t-80 . . . . . 0 C--O 1.24 0.604 0 CA-C-O 118.651 -0.69 . . . . 0.0 109.319 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.959 0.409 . . . . 0.0 110.763 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.608 ' CD1' ' HG2' ' A' ' 6' ' ' GLN . 23.2 m-85 -107.81 124.29 49.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.064 177.341 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.8 p -111.01 -165.74 1.02 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.823 -176.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.32 -31.18 70.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.595 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.24 -42.09 94.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.065 0.46 . . . . 0.0 110.069 176.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.608 ' HG2' ' CD1' ' A' ' 2' ' ' TYR . 2.5 mp0 -69.21 -38.03 78.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.156 177.238 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.412 ' HB3' ' HE2' ' A' ' 7' ' ' LYS . 43.4 mtpt -61.47 -34.37 75.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.889 176.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.444 ' O ' ' HD1' ' A' ' 12' ' ' TRP . . . -62.63 -41.73 99.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.746 0.308 . . . . 0.0 110.932 178.304 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -62.45 -36.09 81.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.146 0.498 . . . . 0.0 109.719 178.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.2 mt -70.81 -42.61 77.45 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.449 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.216 176.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.6 tptt -52.58 -38.32 59.77 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.589 0.756 . . . . 0.0 112.084 -177.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.444 ' HD1' ' O ' ' A' ' 8' ' ' ALA . 38.8 m95 -72.1 -28.43 63.29 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.63 3.31 12.37 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -172.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 23.3 p -70.02 -26.8 64.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.809 0.338 . . . . 0.0 111.215 -175.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.5 ptt-85 -87.99 -3.17 58.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.396 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 56.62 -86.02 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 O-C-N 123.999 0.812 . . . . 0.0 110.966 -177.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.7 17.22 0.17 Allowed Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 175.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 44.7 tpp -136.98 118.01 14.32 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -174.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.7 mp -66.97 -23.26 65.93 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.082 -176.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -66.4 -24.21 66.43 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.826 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.406 ' HA ' HG12 ' A' ' 24' ' ' VAL . 87.1 mt -99.03 -18.13 17.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.817 -174.219 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -55.67 -44.42 77.24 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.069 0.461 . . . . 0.0 111.04 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.9 m -76.59 -14.93 14.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.652 -0.703 . . . . 0.0 112.609 -174.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.406 HG12 ' HA ' ' A' ' 21' ' ' LEU . 7.2 p -101.97 -21.2 5.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.021 -178.633 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 73.1 mt -94.46 -60.91 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.595 -178.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.605 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 28.3 ttt -66.36 -53.26 32.04 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 113.315 0.858 . . . . 0.0 113.315 -169.523 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.605 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 52.4 Cg_exo -57.17 -42.31 64.64 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.904 1.736 . . . . 0.0 112.444 -178.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -69.07 -36.62 77.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.526 178.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -62.96 -43.62 98.3 Favored 'General case' 0 C--O 1.214 -0.813 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.569 176.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -63.61 -34.55 78.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.139 0.495 . . . . 0.0 111.117 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -66.5 -51.51 55.89 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.972 176.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.508 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 33.4 m -75.81 -23.76 55.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.545 -176.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -54.86 -36.68 65.34 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 123.665 0.786 . . . . 0.0 111.853 -177.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -66.39 -22.51 66.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.043 0.449 . . . . 0.0 110.893 -178.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.3 t -101.02 -34.62 9.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.028 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 96.8 mt -65.79 152.96 43.17 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.278 0.561 . . . . 0.0 112.053 -176.063 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.0 p -104.66 173.81 6.15 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.051 176.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -60.7 -37.22 80.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.593 0.235 . . . . 0.0 111.17 -178.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.9 m -57.58 -41.32 80.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.887 0.375 . . . . 0.0 110.729 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -69.96 -47.51 62.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.52 0.676 . . . . 0.0 110.01 177.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.494 ' O ' HG23 ' A' ' 45' ' ' VAL . 51.4 mt-30 -58.16 -43.88 87.63 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.615 -1.175 . . . . 0.0 111.951 -177.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -67.12 -40.8 86.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.057 0.456 . . . . 0.0 111.062 -174.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -66.43 -42.09 88.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.737 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -68.18 -42.46 79.91 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.419 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 41' ' ' GLN . 77.6 t -61.83 -40.34 86.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.803 0.335 . . . . 0.0 110.233 177.637 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.8 -35.51 70.93 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.833 176.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.575 HD12 HD22 ' A' ' 70' ' ' LEU . 6.0 tt -66.57 -45.58 78.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.137 177.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.26 -28.49 70.06 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.965 0.412 . . . . 0.0 111.836 -177.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 45' ' ' VAL . 41.6 mt-10 -74.26 -21.41 59.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.206 0.527 . . . . 0.0 110.234 177.51 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.2 m -99.91 174.44 6.19 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.367 178.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.575 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 3.5 m-20 -71.91 158.42 36.07 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 175.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.506 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 7.2 p-10 -119.02 52.58 1.8 Allowed Pre-proline 0 CA--C 1.54 0.558 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -171.188 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.575 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 3.3 Cg_exo -76.95 -35.18 1.93 Allowed 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.348 1.365 . . . . 0.0 110.447 175.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -66.3 -44.12 84.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.205 177.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.445 ' O ' HG23 ' A' ' 59' ' ' VAL . 7.9 tt -59.02 -49.82 76.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.031 -178.611 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -62.67 -41.36 99.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.61 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.562 ' HB1' ' HA3' ' A' ' 63' ' ' GLY . . . -66.37 -38.21 87.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.891 -176.569 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.43 ' HZ2' ' H ' ' A' ' 65' ' ' CYS . 17.9 m95 -70.9 -35.9 72.5 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.896 -0.321 . . . . 0.0 111.689 -179.341 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 55' ' ' LEU . 87.2 t -65.19 -43.38 95.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.466 178.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 22.3 ttt -78.85 -15.09 58.82 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 121.016 0.436 . . . . 0.0 110.685 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.31 38.64 21.22 Favored Glycine 0 CA--C 1.518 0.233 0 C-N-CA 121.198 -0.525 . . . . 0.0 112.77 176.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 50.2 m170 -126.83 2.45 6.67 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.584 0.216 . . . . 0.0 111.584 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.562 ' HA3' ' HB1' ' A' ' 57' ' ' ALA . . . -126.73 158.65 20.82 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 119.809 -1.186 . . . . 0.0 113.865 -171.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.445 ' HD2' ' C ' ' A' ' 63' ' ' GLY . 6.3 mpt_? -131.13 143.14 50.42 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 174.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.43 ' H ' ' HZ2' ' A' ' 58' ' ' TRP . 25.5 p -111.61 157.27 20.61 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.496 -177.359 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -73.69 -37.69 65.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.156 0.503 . . . . 0.0 110.057 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -104.25 110.21 22.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.366 177.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 28.0 mt -74.7 -10.53 59.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.919 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.38 -38.61 94.99 Favored Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 171.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.575 HD22 HD12 ' A' ' 47' ' ' LEU . 69.4 mt -68.55 -32.9 73.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.278 0.561 . . . . 0.0 110.705 176.234 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.99 -24.49 64.23 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.662 178.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.18 -53.8 52.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.999 -177.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.476 ' SD ' ' HA ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -73.41 -28.51 62.04 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.945 -178.614 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.468 ' O ' HG23 ' A' ' 78' ' ' VAL . 78.8 t -65.66 -41.25 90.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.853 0.359 . . . . 0.0 110.274 175.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -64.14 -34.25 77.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.008 0.432 . . . . 0.0 110.112 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -65.31 -35.52 81.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.385 175.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 73' ' ' MET . 79.0 mt -65.98 -40.27 86.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.106 0.479 . . . . 0.0 109.747 173.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 74' ' ' VAL . 66.2 t -61.32 -35.2 64.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.503 175.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.99 -36.34 81.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.019 0.438 . . . . 0.0 110.915 177.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -71.32 -40.75 70.59 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 176.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.497 ' O ' HG23 ' A' ' 85' ' ' VAL . 48.9 t-20 -62.33 -38.75 90.64 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.836 177.422 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 29.0 tp -54.67 -36.59 64.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.945 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.474 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 26.1 t -71.1 -40.67 71.35 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.306 -178.324 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.418 ' HG2' ' HA ' ' A' ' 81' ' ' ASN . 11.6 ptmt -70.15 -27.22 64.38 Favored 'General case' 0 C--N 1.334 -0.106 0 C-N-CA 119.842 -0.743 . . . . 0.0 109.974 176.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 81' ' ' ASN . 73.9 t -65.93 -54.08 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 175.578 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.474 ' HG2' ' O ' ' A' ' 83' ' ' SER . 36.8 ptt180 -62.04 -22.34 65.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.953 0.406 . . . . 0.0 110.848 -179.315 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 54.1 tp -84.15 -56.03 3.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.671 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -79.0 -23.63 44.27 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -174.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 -84.14 69.67 10.42 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 176.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 26.6 p-80 -79.02 103.8 9.21 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.97 -177.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -146.67 102.68 3.58 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.199 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -165.79 157.61 14.38 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 23.4 p-80 -63.37 108.2 1.27 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.639 0.733 . . . . 0.0 111.171 -174.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 82.4 t60 . . . . . 0 C--O 1.246 0.913 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.059 177.855 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.9 mtt . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.739 0.304 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.714 ' HA ' ' OE1' ' A' ' 6' ' ' GLN . 76.9 m-85 -100.94 113.73 26.96 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.099 0.476 . . . . 0.0 110.381 178.009 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.6 p -91.57 -177.02 4.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.017 -172.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.67 -34.64 67.56 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.96 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -62.79 -49.19 75.95 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 121.352 0.596 . . . . 0.0 110.102 177.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.714 ' OE1' ' HA ' ' A' ' 2' ' ' TYR . 86.3 mt-30 -69.68 -30.52 68.2 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.447 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 43.0 mttm -54.1 -44.24 71.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.794 -0.184 . . . . 0.0 110.97 177.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.28 -42.68 71.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.966 0.412 . . . . 0.0 110.666 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -64.76 -38.75 92.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.322 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 88.5 mt -72.0 -42.19 68.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.3 175.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.55 ' HE3' ' SD ' ' A' ' 26' ' ' MET . 80.3 tttt -55.11 -40.96 71.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.729 178.256 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -71.24 -30.91 66.91 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.266 177.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.98 -52.42 24.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.793 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.577 ' HB3' HD13 ' A' ' 48' ' ' LEU . 17.2 p -68.0 -25.75 65.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.045 -179.338 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.629 ' HG3' ' HB2' ' A' ' 22' ' ' ASP . 62.6 ttt-85 -61.46 -33.2 73.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.023 174.462 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.595 ' HG3' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER 61.22 -164.04 0.25 Allowed 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.367 176.002 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -93.92 2.51 69.4 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.904 175.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.4 ptp -124.59 131.39 53.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.058 0.456 . . . . 0.0 110.381 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.7 mt -69.77 -24.97 63.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.649 -169.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -61.59 -33.85 74.6 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.141 0.422 . . . . 0.0 112.141 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.595 HD12 ' HG3' ' A' ' 16' ' ' ARG . 53.8 mt -74.74 -26.81 60.04 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.528 -178.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.629 ' HB2' ' HG3' ' A' ' 15' ' ' ARG . 23.3 t70 -65.68 -31.05 71.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.423 0.63 . . . . 0.0 110.01 174.315 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.0 t -74.03 -24.91 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.283 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.548 HG22 ' HE2' ' A' ' 84' ' ' LYS . 47.9 t -109.82 -56.99 4.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -172.364 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.3 mt -79.14 -35.1 17.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.653 -0.248 . . . . 0.0 111.625 -170.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.55 ' SD ' ' HE3' ' A' ' 11' ' ' LYS . 16.4 tmm? -58.83 -53.39 66.86 Favored Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.491 -177.329 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' A' ' 26' ' ' MET . 39.0 Cg_endo -67.77 -27.13 38.09 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 121.457 1.438 . . . . 0.0 111.407 176.6 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -65.58 -38.92 90.91 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.127 178.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.46 ' HA ' ' HG ' ' A' ' 32' ' ' CYS . 47.0 t80 -57.48 -41.36 80.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.866 0.365 . . . . 0.0 110.739 178.009 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.75 -46.17 79.82 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.315 178.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -69.02 -51.29 40.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.106 -178.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.633 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 30.0 p -63.66 -39.56 94.64 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.201 -173.441 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -52.92 -42.63 65.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.822 0.344 . . . . 0.0 111.245 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -70.79 -21.8 62.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.095 0.474 . . . . 0.0 111.395 -178.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.9 t -104.82 -16.84 14.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.896 -173.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 37.2 mt -104.95 171.98 7.03 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.364 0.602 . . . . 0.0 111.268 -175.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 37.7 p -88.06 166.25 14.58 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.354 171.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.9 -34.75 78.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.255 0.55 . . . . 0.0 110.229 177.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 m -57.41 -50.06 74.22 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.852 176.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.424 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . 37.7 mt-10 -61.85 -42.63 99.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.28 177.103 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.508 ' O ' HG23 ' A' ' 45' ' ' VAL . 1.7 tt0 -57.22 -42.52 81.53 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.406 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.01 -45.43 92.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.136 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.25 -39.42 82.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.722 178.168 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -68.41 -40.15 81.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.796 178.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 41' ' ' GLN . 87.0 t -66.01 -43.0 92.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.572 178.01 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.12 -36.33 70.54 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.645 HD21 ' HB3' ' A' ' 70' ' ' LEU . 76.2 mt -62.98 -50.94 68.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.868 175.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.577 HD13 ' HB3' ' A' ' 14' ' ' CYS . 87.1 mt -66.44 -23.06 66.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.865 -175.018 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -75.15 -13.43 60.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.936 0.398 . . . . 0.0 110.932 177.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.7 m -96.53 -168.62 1.76 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 173.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.569 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 19.0 t70 -98.58 155.91 17.06 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 170.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.538 ' OD2' ' HD2' ' A' ' 16' ' ' ARG . 35.8 m-20 -113.93 54.48 0.66 Allowed Pre-proline 0 N--CA 1.472 0.65 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 -170.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.569 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 2.7 Cg_exo -77.47 -29.95 4.39 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.428 1.419 . . . . 0.0 109.934 169.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -69.02 -47.3 65.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.19 177.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.5 HD21 HG21 ' A' ' 77' ' ' ILE . 7.1 tt -60.86 -49.07 78.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.735 -179.366 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -62.65 -30.77 71.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.097 0.475 . . . . 0.0 110.349 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.77 -45.04 83.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.309 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.546 ' HB2' HG11 ' A' ' 74' ' ' VAL . 27.1 m95 -65.26 -30.6 71.49 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.212 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 55' ' ' LEU . 62.3 t -64.79 -34.04 67.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.012 0.434 . . . . 0.0 110.217 176.364 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 68.5 mtm -88.95 -22.34 23.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.285 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.14 53.72 0.69 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 121.039 -0.6 . . . . 0.0 112.75 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -145.13 92.8 2.3 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -98.09 -125.38 5.22 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.78 -0.645 . . . . 0.0 113.28 -177.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 69.18 25.54 5.7 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.428 0.691 . . . . 0.0 111.721 -176.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 97.7 m -75.24 163.59 27.35 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.14 176.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -59.08 -50.24 74.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.446 -175.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -117.08 116.63 27.7 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.352 -169.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.1 mt -75.8 -22.48 56.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.734 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.81 -42.53 99.67 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.795 -0.717 . . . . 0.0 111.501 175.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.645 ' HB3' HD21 ' A' ' 47' ' ' LEU . 96.6 mt -68.82 -35.68 77.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.943 0.401 . . . . 0.0 110.052 174.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.64 -29.73 70.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.03 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.498 ' O ' ' HG3' ' A' ' 76' ' ' LYS . . . -65.08 -29.56 70.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.225 176.146 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 24.4 mmt -73.02 -36.54 67.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.606 176.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.546 HG11 ' HB2' ' A' ' 58' ' ' TRP . 46.5 t -67.54 -36.66 76.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.854 175.428 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -54.82 -39.87 68.97 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.622 175.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.498 ' HG3' ' O ' ' A' ' 72' ' ' ALA . 65.4 mttm -69.43 -36.82 77.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.75 177.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.5 HG21 HD21 ' A' ' 55' ' ' LEU . 47.0 mm -59.38 -48.28 87.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 174.1 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 74' ' ' VAL . 59.0 t -64.04 -35.78 74.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.722 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.18 -42.8 99.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.321 . . . . 0.0 111.241 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -66.07 -42.93 88.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.239 0.543 . . . . 0.0 109.634 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.421 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 4.5 t30 -65.95 -36.32 83.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.047 177.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.442 ' O ' HD23 ' A' ' 82' ' ' LEU . 5.0 tt -54.76 -35.68 64.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.48 -177.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.433 ' HA ' ' HG2' ' A' ' 86' ' ' ARG . 14.4 m -64.17 -49.29 72.66 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.463 -178.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.548 ' HE2' HG22 ' A' ' 24' ' ' VAL . 21.1 pttp -69.95 -22.8 63.14 Favored 'General case' 0 N--CA 1.461 0.104 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.626 -178.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 93.2 t -79.98 -42.16 21.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.761 176.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.433 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 32.9 ptt180 -74.35 -21.79 59.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.895 -177.233 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.443 ' O ' HD23 ' A' ' 87' ' ' LEU . 6.3 tt -64.7 -33.57 76.26 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 172.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -74.92 151.37 38.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.303 178.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -94.68 12.97 25.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.112 0.482 . . . . 0.0 110.72 176.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.534 ' O ' ' HB2' ' A' ' 91' ' ' HIS . 69.7 m80 -78.4 112.45 15.44 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 165.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.534 ' HB2' ' O ' ' A' ' 90' ' ' HIS . 41.3 m80 72.93 -162.59 0.1 Allowed 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -166.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -118.62 163.24 17.1 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 12.2 p-80 -76.4 135.73 39.47 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 177.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 . . . . . 0 C--O 1.246 0.896 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.1 -176.876 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 120.961 0.41 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -84.27 145.46 28.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.033 -178.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.2 p -118.53 158.72 24.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.12 0.486 . . . . 0.0 111.865 -174.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.503 ' O ' ' HB2' ' A' ' 7' ' ' LYS . . . -65.62 -29.38 69.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.566 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.84 -39.94 90.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.311 0.577 . . . . 0.0 110.082 177.238 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -66.26 -29.6 69.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.347 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.503 ' HB2' ' O ' ' A' ' 4' ' ' ALA . 25.2 mtpp -56.69 -39.69 74.26 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.914 0.387 . . . . 0.0 110.444 174.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.08 -36.55 84.69 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.492 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -62.98 -34.02 76.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.362 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.4 mt -71.52 -43.99 71.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.985 175.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -57.35 -38.52 74.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.365 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -70.79 -22.82 62.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.496 178.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.72 22.88 14.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.691 -174.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.8 p -67.83 -25.89 65.79 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.716 0.294 . . . . 0.0 110.677 178.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.2 mtt180 75.71 134.77 0.05 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.265 -0.879 . . . . 0.0 112.598 175.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -71.17 -23.1 61.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.008 175.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.0 -20.71 74.93 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.162 177.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.573 ' HB3' ' HB3' ' A' ' 21' ' ' LEU . 1.5 mpt? -101.12 72.41 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.154 0.502 . . . . 0.0 109.826 177.029 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.92 -56.31 12.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.645 -172.665 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.0 mp0 -71.53 -31.38 66.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.052 0.454 . . . . 0.0 110.779 -179.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.573 ' HB3' ' HB3' ' A' ' 18' ' ' MET . 5.3 tp -68.29 -38.02 81.24 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.275 -176.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -51.59 -38.21 53.5 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.648 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.9 t -71.17 -37.27 65.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.651 -176.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.554 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 35.7 m -91.77 -27.62 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -172.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 21' ' ' LEU . 65.9 mt -59.08 -42.38 86.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -175.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.706 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 42.5 tpp -57.09 -53.66 62.93 Favored Pre-proline 0 CA--C 1.542 0.669 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -172.29 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.706 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 2.8 Cg_exo -78.45 -32.63 2.15 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 122.124 1.883 . . . . 0.0 112.666 177.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -67.72 -36.65 81.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.854 -0.157 . . . . 0.0 110.8 -178.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.603 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 87.5 t80 -56.76 -44.68 82.01 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.783 0.325 . . . . 0.0 110.23 177.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -57.67 -45.21 85.87 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.159 178.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -72.87 -35.61 67.2 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.837 -177.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.603 ' SG ' ' HA ' ' A' ' 29' ' ' PHE . 28.2 p -75.98 -34.01 59.76 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.282 178.636 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -62.32 -36.35 81.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.166 0.507 . . . . 0.0 110.476 177.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -63.22 -28.1 69.81 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.276 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.3 t -97.65 -44.8 6.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.217 -176.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 51.4 mt -75.49 144.44 42.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.626 0.25 . . . . 0.0 110.91 -176.034 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -94.39 -178.49 4.6 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 173.432 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -54.57 -43.51 72.14 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -176.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.5 m -57.88 -51.57 69.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.955 0.407 . . . . 0.0 111.408 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.2 mp0 -70.28 -41.52 73.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.187 -178.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.432 ' O ' HG23 ' A' ' 45' ' ' VAL . 8.4 tt0 -62.37 -40.97 98.18 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.156 -178.399 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -62.89 -40.88 98.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.36 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -59.61 -43.18 93.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.111 177.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.489 ' HD1' ' SD ' ' A' ' 73' ' ' MET . 64.1 t80 -64.84 -49.3 71.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.376 177.505 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 41' ' ' GLN . 90.9 t -64.49 -39.35 85.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.183 -178.512 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.49 -36.97 79.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.932 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.444 HD22 HD22 ' A' ' 70' ' ' LEU . 33.1 tp -67.82 -35.93 79.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.104 177.442 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 44' ' ' PHE . 86.7 mt -59.23 -31.23 68.86 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -176.051 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -78.74 -14.06 59.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.011 0.434 . . . . 0.0 111.185 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.0 t -96.25 -177.9 4.13 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 177.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -112.78 113.52 25.65 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 177.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.816 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -118.46 87.2 30.28 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 121.54 0.686 . . . . 0.0 111.727 -176.115 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -68.04 -27.26 36.3 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.633 2.222 . . . . 0.0 110.5 173.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.516 ' O ' ' HD1' ' A' ' 58' ' ' TRP . 4.6 m-20 -65.11 -38.11 89.62 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.343 174.656 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.816 ' HB2' ' HB3' ' A' ' 52' ' ' ASP . 1.1 tt -58.04 -50.18 74.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.14 176.173 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -63.98 -34.64 78.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.222 176.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.556 ' HB1' ' O ' ' A' ' 62' ' ' HIS . . . -63.39 -39.94 95.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.511 179.416 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.516 ' HD1' ' O ' ' A' ' 54' ' ' ASP . 17.1 m95 -64.74 -37.28 87.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 110.806 177.482 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.2 t -65.9 -39.57 85.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.428 176.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 86.6 mmm -75.65 -21.26 57.84 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.762 0.315 . . . . 0.0 111.34 176.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.75 27.13 22.8 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 121.105 -0.569 . . . . 0.0 112.656 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.556 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 94.7 m-70 -145.99 77.31 1.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.883 0.342 . . . . 0.0 111.064 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -179.52 163.92 31.61 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 119.897 -1.144 . . . . 0.0 112.841 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 73.6 mtt-85 -127.17 138.42 53.14 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 35.7 t -89.34 146.96 24.35 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -177.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -69.11 -37.75 78.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.071 0.462 . . . . 0.0 110.286 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -138.06 118.13 13.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.904 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 31.1 mt -65.36 -14.9 61.89 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -173.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.43 -44.18 98.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.584 -0.817 . . . . 0.0 111.271 173.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.444 HD22 HD22 ' A' ' 47' ' ' LEU . 37.9 mt -65.06 -42.19 94.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.291 0.567 . . . . 0.0 109.736 173.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.84 -23.87 67.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.487 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.58 -45.9 90.5 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.917 0.339 . . . . 0.0 111.917 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.489 ' SD ' ' HD1' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -75.4 -28.99 59.66 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.951 177.49 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.434 ' O ' HG23 ' A' ' 78' ' ' VAL . 78.8 t -65.1 -36.32 77.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 175.268 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -54.24 -41.88 69.24 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.576 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 80' ' ' HIS . 27.4 mmmt -66.55 -37.75 85.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.099 -179.641 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 63.7 mt -70.63 -40.43 77.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.495 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 74' ' ' VAL . 78.6 t -59.49 -47.93 89.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.17 -39.39 92.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.168 0.509 . . . . 0.0 110.629 178.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' A' ' 76' ' ' LYS . 0.4 OUTLIER -60.73 -48.43 81.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.632 179.673 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.45 ' O ' HG23 ' A' ' 85' ' ' VAL . 9.3 t30 -67.07 -40.52 87.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.684 178.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.4 tt -56.29 -43.22 78.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.017 0.437 . . . . 0.0 109.989 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.507 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 8.0 t -66.92 -44.81 79.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.48 -177.033 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -69.31 -22.55 63.78 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.05 -178.403 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 81' ' ' ASN . 73.8 t -79.66 -39.8 20.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.883 176.048 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' A' ' 83' ' ' SER . 40.3 ptt180 -73.7 -24.9 60.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.929 0.395 . . . . 0.0 111.003 -178.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 83' ' ' SER . 78.3 mt -70.45 -44.22 68.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.676 175.635 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 56.58 85.44 0.08 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.439 -177.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -87.4 -31.51 20.04 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 170.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -136.94 -80.42 0.38 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.204 171.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 55.37 80.96 0.12 Allowed 'General case' 0 CA--C 1.531 0.23 0 O-C-N 123.821 0.701 . . . . 0.0 111.669 175.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -125.39 89.65 3.08 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.345 176.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 25.9 p80 52.87 -53.06 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 125.461 1.504 . . . . 0.0 113.281 -171.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 . . . . . 0 C--O 1.247 0.944 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 173.347 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.3 ttm . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 120.571 0.224 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -123.62 103.73 8.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.058 0.456 . . . . 0.0 110.966 177.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.5 p -104.75 -163.75 0.99 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.969 176.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.22 -35.83 78.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.621 0.248 . . . . 0.0 111.634 -177.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -60.3 -42.58 95.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.594 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -69.5 -36.35 76.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.396 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -60.35 -35.31 75.37 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.688 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . . . -64.65 -36.87 85.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.973 178.404 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -63.63 -36.3 83.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.133 0.492 . . . . 0.0 110.265 176.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.1 mt -70.61 -49.78 49.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.959 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.688 ' HG2' ' HA ' ' A' ' 8' ' ' ALA . 18.5 ptpt -60.84 -34.71 74.98 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.939 0.4 . . . . 0.0 111.419 -178.383 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -71.03 -22.49 62.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.566 177.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.77 -41.28 8.14 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -173.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.407 ' SG ' ' HA ' ' A' ' 11' ' ' LYS . 19.9 p -64.74 -26.3 68.3 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -173.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.505 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 93.5 mtt180 -90.35 -176.44 4.8 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.471 -176.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.505 ' HB2' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 75.49 138.98 0.06 Allowed 'General case' 0 N--CA 1.47 0.535 0 O-C-N 124.008 0.817 . . . . 0.0 111.091 -172.455 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.04 -65.13 3.94 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.382 -0.826 . . . . 0.0 112.176 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.5 ptt? -132.08 111.3 11.36 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.27 0.557 . . . . 0.0 110.627 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 84.0 mt -81.46 -27.29 34.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.521 -177.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -56.52 -44.88 81.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.623 -176.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.461 ' O ' HG13 ' A' ' 25' ' ' ILE . 4.4 mm? -64.0 -44.97 91.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.499 -176.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -56.29 -33.88 65.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.927 0.394 . . . . 0.0 111.443 -177.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.7 t -59.55 -37.96 72.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.843 -177.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.6 m -100.45 -25.03 3.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -176.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 21' ' ' LEU . 74.2 mt -67.67 -52.28 42.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 111.705 0.261 . . . . 0.0 111.705 -176.562 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.611 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 53.7 ttp -57.66 -53.49 65.09 Favored Pre-proline 0 CA--C 1.54 0.588 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -172.347 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.611 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 24.3 Cg_exo -63.89 -36.79 48.13 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.964 1.776 . . . . 0.0 112.371 -178.362 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -69.53 -40.89 76.63 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 177.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -58.9 -44.35 91.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.647 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -54.39 -45.12 72.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.081 0.467 . . . . 0.0 111.461 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -75.01 -45.5 41.41 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.761 178.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 35.1 t -65.09 -34.1 77.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.937 0.399 . . . . 0.0 111.079 -176.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -53.35 -35.54 60.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.831 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -58.27 -30.61 66.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.1 0.476 . . . . 0.0 110.802 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.2 t -98.26 -26.52 14.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.805 -178.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.1 mt -72.39 139.02 47.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.199 0.523 . . . . 0.0 110.873 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.4 p -91.28 169.54 10.73 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.016 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -50.71 -46.19 58.79 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.319 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.4 p -61.18 -49.49 76.99 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.616 -177.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -62.93 -47.0 85.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.585 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.444 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -59.96 -41.37 91.77 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.02 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -61.22 -45.07 96.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -62.04 -42.91 99.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.802 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.463 ' CZ ' HD11 ' A' ' 48' ' ' LEU . 35.2 t80 -62.54 -48.32 80.01 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.154 179.538 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 41' ' ' GLN . 87.7 t -60.75 -48.84 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.348 -178.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.26 -33.21 71.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.395 -177.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 1.023 HD22 HD13 ' A' ' 70' ' ' LEU . 17.3 tp -68.0 -40.95 82.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.888 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.463 HD11 ' CZ ' ' A' ' 44' ' ' PHE . 97.5 mt -69.81 -16.74 63.33 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -174.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -58.51 -35.07 71.68 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -168.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 39.4 m -152.69 113.45 4.13 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 122.082 -0.386 . . . . 0.0 111.75 172.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.0 t70 55.25 119.37 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 O-C-N 124.765 1.291 . . . . 0.0 113.435 175.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.727 ' CG ' ' HB2' ' A' ' 55' ' ' LEU . 4.1 t0 -114.04 85.85 10.65 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.043 178.284 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -77.5 -27.3 6.42 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.558 2.172 . . . . 0.0 111.674 177.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -65.23 -47.77 75.63 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 176.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.727 ' HB2' ' CG ' ' A' ' 52' ' ' ASP . 0.4 OUTLIER -58.97 -50.96 72.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.526 -1.216 . . . . 0.0 110.19 176.524 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -58.94 -47.34 85.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.067 -178.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.37 -34.25 77.55 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -175.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -81.58 -31.46 32.56 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.519 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.47 ' HA ' HG22 ' A' ' 78' ' ' VAL . 74.1 t -68.69 -39.7 80.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.042 0.449 . . . . 0.0 110.316 173.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.445 ' SD ' ' HB3' ' A' ' 92' ' ' HIS . 25.8 mmt -79.96 -14.35 58.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.135 179.186 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.52 45.68 10.76 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.076 -0.583 . . . . 0.0 113.253 176.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -123.89 -15.9 6.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.949 0.374 . . . . 0.0 111.473 176.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.56 115.04 0.05 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 114.867 0.707 . . . . 0.0 114.867 172.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -145.92 14.71 1.35 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.663 0.268 . . . . 0.0 110.928 173.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 19.9 t -101.68 123.33 45.49 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.463 -173.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -84.44 -34.35 23.49 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.557 -175.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -105.01 118.79 37.41 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.241 0.543 . . . . 0.0 110.959 -178.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.575 ' HA ' ' HB3' ' A' ' 71' ' ' ALA . 32.0 mt -72.49 -12.77 61.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.176 -177.335 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.77 -47.96 87.66 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.588 -0.815 . . . . 0.0 111.566 174.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.023 HD13 HD22 ' A' ' 47' ' ' LEU . 35.1 mt -72.22 -44.87 62.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.409 . . . . 0.0 110.731 174.225 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.575 ' HB3' ' HA ' ' A' ' 68' ' ' LEU . . . -57.11 -28.52 62.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.756 -178.505 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.22 -46.39 89.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.135 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.519 ' HG3' ' O ' ' A' ' 70' ' ' LEU . 3.4 ppp? -74.01 -28.79 61.62 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.144 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.448 ' O ' HG23 ' A' ' 78' ' ' VAL . 74.4 t -69.01 -41.2 81.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.933 0.397 . . . . 0.0 110.171 176.199 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -60.8 -34.38 74.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.546 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -59.04 -40.34 84.75 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.036 0.446 . . . . 0.0 110.31 175.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.5 mt -69.89 -43.33 79.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.156 177.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.47 HG22 ' HA ' ' A' ' 59' ' ' VAL . 67.6 t -61.5 -38.75 80.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.812 179.211 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.93 -36.7 82.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.96 177.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -71.58 -36.3 70.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.328 177.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.467 ' O ' HG23 ' A' ' 85' ' ' VAL . 64.0 t30 -70.08 -34.93 73.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.804 178.127 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 tt -53.95 -43.94 70.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.873 -176.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.649 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 11.9 p -67.97 -31.02 70.46 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.72 0.295 . . . . 0.0 110.879 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.52 ' HA ' HD12 ' A' ' 87' ' ' LEU . 27.4 mtpp -69.04 -33.82 74.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.051 0.453 . . . . 0.0 110.23 177.248 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 81' ' ' ASN . 60.9 t -67.49 -39.66 82.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.385 178.358 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 83' ' ' SER . 12.9 ptm180 -78.04 -23.3 48.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.703 -178.46 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.649 ' HG ' ' O ' ' A' ' 83' ' ' SER . 74.5 mt -61.5 -58.96 6.06 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.885 0.374 . . . . 0.0 110.244 174.658 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -118.76 -98.53 0.45 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.363 178.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -179.33 97.36 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.861 0.362 . . . . 0.0 110.427 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -151.97 103.41 2.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.828 177.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -98.51 -41.72 7.63 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 172.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.445 ' HB3' ' SD ' ' A' ' 60' ' ' MET . 5.9 p-80 -177.91 123.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.552 -1.204 . . . . 0.0 109.065 167.07 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -166.68 143.68 4.86 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.581 -172.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.629 -0.701 . . . . 0.0 110.426 177.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.8 ttp . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 120.705 0.288 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.417 ' HD1' ' HG2' ' A' ' 6' ' ' GLN . 54.9 m-85 -119.14 136.87 53.96 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 172.624 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 68.0 p -98.85 -174.04 2.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.814 -0.176 . . . . 0.0 110.579 -174.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.54 -32.84 67.49 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.724 0.297 . . . . 0.0 111.432 -177.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -60.46 -50.15 74.72 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 177.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.417 ' HG2' ' HD1' ' A' ' 2' ' ' TYR . 26.7 mp0 -70.19 -37.82 75.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.048 178.164 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -56.17 -40.27 73.64 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.829 0.347 . . . . 0.0 110.979 178.038 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.421 ' O ' ' HD1' ' A' ' 12' ' ' TRP . . . -61.44 -47.06 87.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.994 178.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -62.35 -36.96 83.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.074 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 6' ' ' GLN . 81.5 mt -64.62 -44.74 96.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.022 0.439 . . . . 0.0 110.065 177.232 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.638 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 87.5 tttt -63.03 -37.16 86.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.714 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.421 ' HD1' ' O ' ' A' ' 8' ' ' ALA . 11.6 m95 -62.76 -25.18 68.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.542 178.405 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.83 -29.94 23.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.073 178.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 58.2 m -73.31 -46.06 51.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.982 0.42 . . . . 0.0 110.882 -179.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.638 ' HG3' ' O ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -97.72 -174.25 2.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.881 177.564 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.403 ' HB3' ' O ' ' A' ' 15' ' ' ARG . 61.7 ttp180 74.07 -39.44 0.43 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.075 0.55 . . . . 0.0 110.79 -177.353 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -86.49 -111.47 0.85 Allowed Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 121.297 -0.478 . . . . 0.0 112.204 177.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.591 ' HG2' HD23 ' A' ' 21' ' ' LEU . 54.6 tpp -92.65 96.73 10.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.056 0.455 . . . . 0.0 111.146 -176.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 72.2 mt -73.94 -21.3 60.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.788 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -60.37 -31.03 69.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.522 176.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.591 HD23 ' HG2' ' A' ' 18' ' ' MET . 4.3 mm? -93.25 -23.59 18.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.825 178.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -54.05 -36.09 62.71 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.186 0.517 . . . . 0.0 110.667 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.8 t -57.95 -35.06 50.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.002 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.1 p -104.32 -33.93 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.759 0.314 . . . . 0.0 111.469 -176.152 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 63.2 mt -70.63 -46.13 71.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -175.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.568 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 78.9 mmm -59.67 -53.7 63.09 Favored Pre-proline 0 N--CA 1.466 0.354 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -174.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.548 ' HD3' ' HB2' ' A' ' 26' ' ' MET . 50.7 Cg_exo -58.08 -38.71 90.54 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 121.72 1.613 . . . . 0.0 112.279 179.029 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.514 ' HZ ' ' HB3' ' A' ' 76' ' ' LYS . 55.6 t80 -69.32 -41.98 75.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.569 177.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -58.77 -42.07 88.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.663 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.568 ' HG3' ' O ' ' A' ' 26' ' ' MET . 38.7 mt-10 -54.94 -45.18 74.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.528 0.68 . . . . 0.0 111.12 178.304 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -77.56 -40.76 41.35 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.695 -177.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 38.4 t -83.19 -21.8 33.37 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -173.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -53.49 -50.62 64.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.897 0.379 . . . . 0.0 111.254 -179.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -69.47 -24.37 63.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.074 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.9 t -80.21 -21.3 43.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.304 -173.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.455 ' HB3' ' HB2' ' A' ' 40' ' ' GLU . 80.1 mt -96.53 155.4 16.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.745 0.307 . . . . 0.0 111.055 -178.109 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 48.3 p -83.31 171.49 13.5 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 172.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -57.89 -41.9 83.52 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -174.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.27 -45.27 85.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.239 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.455 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . 40.1 mt-10 -64.85 -40.54 95.33 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.31 0.576 . . . . 0.0 110.14 178.127 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.49 ' O ' HG23 ' A' ' 45' ' ' VAL . 48.7 tt0 -56.47 -48.59 76.78 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.767 176.438 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -69.1 -34.54 75.24 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.856 -177.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -63.5 -43.31 97.62 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.229 178.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -65.47 -42.56 92.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.456 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 41' ' ' GLN . 94.1 t -61.29 -37.94 78.73 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.864 177.53 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.05 -39.35 78.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 177.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.56 HD12 HD22 ' A' ' 70' ' ' LEU . 6.1 tt -64.37 -39.44 93.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.431 178.567 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.5 mt -63.14 -22.69 67.03 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -174.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -80.22 -13.85 58.9 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.114 178.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.1 t -96.95 -172.07 2.37 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.974 -178.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.609 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 7.4 m-20 -87.6 175.19 8.03 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 177.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.576 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 9.5 p-10 -121.18 51.61 2.57 Favored Pre-proline 0 CA--C 1.543 0.693 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -179.664 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.609 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 1.6 Cg_endo -83.82 -54.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.061 1.841 . . . . 0.0 110.713 176.112 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.45 ' O ' ' HD1' ' A' ' 58' ' ' TRP . 2.4 m-20 -59.65 -41.58 90.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.981 175.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.53 ' O ' HG23 ' A' ' 59' ' ' VAL . 9.3 tt -58.98 -50.15 75.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.068 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -60.33 -38.26 83.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.185 0.516 . . . . 0.0 110.43 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.6 -40.87 84.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.668 -178.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.479 ' HB2' HG11 ' A' ' 74' ' ' VAL . 21.0 m95 -67.46 -33.32 74.89 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.677 0.275 . . . . 0.0 111.027 179.21 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 55' ' ' LEU . 86.4 t -61.93 -36.5 74.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.051 0.453 . . . . 0.0 110.353 176.371 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 22.1 mmt -87.13 -18.18 31.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.014 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.11 22.87 31.3 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.623 176.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -114.43 -3.65 13.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.226 0.536 . . . . 0.0 110.206 -178.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -88.24 163.04 32.65 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.653 -0.784 . . . . 0.0 113.635 -170.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -148.75 136.17 20.34 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 176.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 29.8 t -130.09 169.86 14.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.778 0.323 . . . . 0.0 110.994 -172.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -86.14 -42.46 13.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.806 -177.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -117.96 131.58 56.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.401 0.619 . . . . 0.0 110.674 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.5 mt -76.19 -17.54 59.48 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.981 -176.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -59.38 -48.2 87.14 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.635 -0.793 . . . . 0.0 111.973 178.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.56 HD22 HD12 ' A' ' 47' ' ' LEU . 58.2 mt -71.57 -30.95 66.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.993 0.425 . . . . 0.0 110.748 176.288 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.35 -36.79 83.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.483 ' O ' ' HG3' ' A' ' 76' ' ' LYS . . . -66.79 -27.77 67.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.755 178.127 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 23.6 mmt -64.91 -45.92 83.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.152 0.501 . . . . 0.0 109.833 175.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.521 ' O ' HG23 ' A' ' 78' ' ' VAL . 31.4 t -65.89 -36.73 78.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.387 178.548 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -54.4 -45.09 72.84 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.913 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.514 ' HB3' ' HZ ' ' A' ' 28' ' ' PHE . 57.4 mttm -67.79 -34.92 77.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.717 -179.659 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 71.2 mt -63.66 -43.52 98.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.177 175.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 74' ' ' VAL . 72.0 t -62.04 -42.88 96.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.537 178.377 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.55 -42.23 87.37 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.278 177.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -71.77 -37.03 70.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.16 0.505 . . . . 0.0 110.262 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -60.23 -33.5 72.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.948 178.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.6 tp -53.66 -30.86 45.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.012 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.546 ' HA ' ' HG2' ' A' ' 86' ' ' ARG . 22.6 t -64.49 -41.03 96.7 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.598 176.568 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -67.77 -33.74 75.44 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 175.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.444 HG13 ' ND1' ' A' ' 92' ' ' HIS . 99.4 t -68.04 -39.98 82.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.044 179.26 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.546 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 31.4 ptt85 -77.82 -21.21 51.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.106 0.479 . . . . 0.0 110.885 -178.698 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 64.8 tp -88.08 -55.03 3.92 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.141 -178.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -77.73 110.12 12.31 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.115 0.483 . . . . 0.0 111.341 -175.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 67.15 14.66 9.85 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.055 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 39.5 m80 73.73 -48.2 0.66 Allowed 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 172.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -162.48 169.33 20.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.898 0.38 . . . . 0.0 111.382 -176.589 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.444 ' ND1' HG13 ' A' ' 85' ' ' VAL . 37.9 m80 -128.93 115.21 17.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.007 176.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -81.3 137.05 35.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.706 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 44.1 m170 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.445 -0.788 . . . . 0.0 110.143 175.446 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.1 mtt . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 110.619 -0.141 . . . . 0.0 110.619 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -62.5 105.41 0.63 Allowed 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 121.348 0.594 . . . . 0.0 109.575 170.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.4 p -90.29 -174.64 4.24 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.895 -1.048 . . . . 0.0 112.376 -171.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.51 ' HA ' ' HG2' ' A' ' 7' ' ' LYS . . . -59.36 -30.72 68.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.851 175.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -64.35 -49.41 71.78 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 121.351 0.596 . . . . 0.0 109.633 175.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.5 ' O ' HG13 ' A' ' 10' ' ' ILE . 77.6 mm-40 -66.08 -42.92 88.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.062 -175.715 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.51 ' HG2' ' HA ' ' A' ' 4' ' ' ALA . 20.9 ptmt -61.57 -33.42 73.84 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.582 -179.347 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.88 -41.25 71.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.937 0.399 . . . . 0.0 110.201 177.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -62.69 -32.7 73.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.277 176.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 6' ' ' GLN . 78.3 mt -65.45 -43.21 94.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.596 174.239 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.606 ' HD3' ' O ' ' A' ' 11' ' ' LYS . 2.3 tmtp? -56.95 -35.26 68.89 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.553 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -58.1 -32.98 68.61 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.972 176.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.69 40.54 1.47 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.983 0.42 . . . . 0.0 110.575 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 3.7 p -61.48 -24.81 66.83 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.892 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.784 HH21 ' HA ' ' A' ' 49' ' ' GLU . 36.0 mmt180 75.22 163.36 0.26 Allowed 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.353 0.661 . . . . 0.0 111.545 178.716 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -122.31 109.95 15.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.946 -177.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -134.81 -60.07 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.374 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.44 ' HG3' ' H ' ' A' ' 20' ' ' GLU . 12.3 tpt -162.44 142.21 9.55 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -178.048 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.6 mt -61.39 -36.36 80.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 111.087 -178.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.476 ' O ' HG23 ' A' ' 24' ' ' VAL . 27.7 mm-40 -64.81 -42.64 94.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.69 175.631 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.547 ' O ' HG12 ' A' ' 25' ' ' ILE . 4.4 tt -69.13 -36.88 77.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.283 -174.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -57.47 -43.73 84.27 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.506 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.13 -22.45 30.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.205 -178.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 20' ' ' GLU . 5.0 t -93.31 1.65 9.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.265 0.555 . . . . 0.0 110.293 -179.601 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.547 HG12 ' O ' ' A' ' 21' ' ' LEU . 46.2 mm -104.09 -65.43 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.602 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.717 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 34.7 tpp -68.56 -53.53 16.49 Favored Pre-proline 0 CA--C 1.535 0.385 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -170.321 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.717 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 31.0 Cg_exo -63.39 -29.25 71.91 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 121.699 1.6 . . . . 0.0 111.796 176.721 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.533 ' HZ ' ' HB3' ' A' ' 76' ' ' LYS . 70.7 t80 -69.85 -36.38 75.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.388 176.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -56.9 -41.07 77.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.219 177.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -55.53 -45.2 77.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.967 178.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -71.05 -51.28 26.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.961 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.0 t -70.02 -31.66 69.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.799 -170.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -53.93 -36.78 63.15 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 122.396 0.278 . . . . 0.0 111.667 -177.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -68.61 -20.23 64.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.022 0.439 . . . . 0.0 111.034 -178.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.1 m -107.2 -6.48 17.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.365 -178.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.429 ' HB3' ' HG3' ' A' ' 41' ' ' GLN . 66.5 mt -89.43 143.13 27.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.105 0.478 . . . . 0.0 111.47 -178.077 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.6 p -108.63 164.98 11.88 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.498 172.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -54.62 -38.1 66.42 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.97 0.414 . . . . 0.0 110.982 -179.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 m -57.6 -49.72 75.49 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.09 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -71.88 -39.14 69.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 178.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.483 ' O ' HG23 ' A' ' 45' ' ' VAL . 49.9 mt-30 -61.6 -39.76 92.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.678 -177.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -64.07 -45.56 88.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.937 0.399 . . . . 0.0 110.9 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -65.03 -35.78 82.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.674 178.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -68.23 -44.19 76.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.278 178.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 41' ' ' GLN . 73.7 t -62.99 -41.5 93.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.777 0.322 . . . . 0.0 110.517 178.169 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.61 -33.43 72.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.145 0.497 . . . . 0.0 110.744 176.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.547 ' HB2' HD22 ' A' ' 70' ' ' LEU . 54.7 tp -67.47 -38.15 83.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.09 177.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.0 mt -71.38 -18.22 62.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 112.074 -175.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.784 ' HA ' HH21 ' A' ' 15' ' ' ARG . 38.3 mt-10 -85.8 -12.59 50.54 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.652 0.242 . . . . 0.0 111.652 177.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.2 m -71.82 178.56 3.59 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.225 0.536 . . . . 0.0 111.504 -178.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -83.69 12.0 6.53 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.712 0.768 . . . . 0.0 110.001 177.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.569 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 10.5 m-20 50.82 52.43 12.28 Favored Pre-proline 0 CA--C 1.532 0.256 0 CA-C-N 114.601 -1.181 . . . . 0.0 112.35 -176.317 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.569 ' HD3' ' N ' ' A' ' 52' ' ' ASP . 5.2 Cg_endo -87.4 -56.67 0.02 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 121.873 1.716 . . . . 0.0 111.578 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.5 ' HB2' ' HB3' ' A' ' 65' ' ' CYS . 23.4 p-10 -70.5 -32.87 70.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.069 176.509 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.507 ' O ' HG23 ' A' ' 59' ' ' VAL . 6.9 tt -60.85 -50.57 72.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.682 175.094 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -63.8 -38.14 89.98 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.999 0.428 . . . . 0.0 110.494 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.594 ' HB1' ' HA3' ' A' ' 63' ' ' GLY . . . -57.35 -47.29 82.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.946 -178.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.506 ' HB2' HG11 ' A' ' 74' ' ' VAL . 31.1 m95 -74.71 -28.58 60.86 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.725 -176.592 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 55' ' ' LEU . 91.8 t -59.29 -42.77 88.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 120.907 0.384 . . . . 0.0 110.338 175.46 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 87.6 mtp -87.22 -20.05 27.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.583 178.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.16 33.36 17.84 Favored Glycine 0 C--N 1.331 0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.647 177.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -156.58 97.55 1.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 122.399 0.28 . . . . 0.0 110.529 -175.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.594 ' HA3' ' HB1' ' A' ' 57' ' ' ALA . . . 160.05 -31.53 0.4 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.359 -0.924 . . . . 0.0 113.43 174.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 62.76 -175.64 0.15 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.07 0.462 . . . . 0.0 111.452 -177.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.5 ' HB3' ' HB2' ' A' ' 54' ' ' ASP . 25.1 p -149.34 -178.25 6.3 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.369 -178.141 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -94.52 -35.74 12.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.251 0.548 . . . . 0.0 110.168 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -118.79 120.56 37.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.063 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.0 mt -70.52 -17.92 62.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.812 179.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.58 -47.15 91.48 Favored Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 174.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.547 HD22 ' HB2' ' A' ' 47' ' ' LEU . 99.0 mt -58.03 -43.85 86.99 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.199 0.523 . . . . 0.0 109.951 174.568 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.476 ' HB2' ' SG ' ' A' ' 65' ' ' CYS . . . -65.6 -26.01 67.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.433 -179.461 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.49 ' O ' ' HG3' ' A' ' 76' ' ' LYS . . . -62.94 -43.0 99.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.594 179.303 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 5.1 mpp? -69.08 -39.29 79.15 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.673 176.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.521 ' O ' HG23 ' A' ' 78' ' ' VAL . 46.0 t -62.5 -40.68 89.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.85 0.357 . . . . 0.0 110.598 178.039 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -60.64 -38.51 85.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.596 177.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.533 ' HB3' ' HZ ' ' A' ' 28' ' ' PHE . 97.6 mttt -61.99 -40.45 95.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.73 176.223 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 78.3 mt -63.36 -46.6 95.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.271 176.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 74' ' ' VAL . 84.1 t -56.79 -34.61 43.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.124 178.651 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.69 -46.5 88.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.813 0.34 . . . . 0.0 111.052 178.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -67.73 -36.1 79.96 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.607 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 58.0 t30 -63.64 -48.01 78.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.383 177.518 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.0 tt -57.57 -37.12 72.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.284 0.564 . . . . 0.0 109.633 177.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.503 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 21.9 t -63.58 -43.48 96.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.169 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.607 ' HG2' ' O ' ' A' ' 81' ' ' ASN . 11.7 ptmm? -69.38 -26.08 64.48 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.491 -0.483 . . . . 0.0 109.996 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 81' ' ' ASN . 95.2 t -74.93 -46.36 40.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.688 177.233 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.503 ' HG3' ' O ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -66.21 -23.3 66.41 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.136 0.493 . . . . 0.0 111.041 -179.495 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.425 ' N ' ' HD3' ' A' ' 86' ' ' ARG . 60.2 tp -70.45 -38.68 74.54 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.004 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -92.46 -86.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -176.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.522 ' O ' ' HB2' ' A' ' 90' ' ' HIS . 7.6 p-80 -153.4 107.18 3.02 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -169.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.522 ' HB2' ' O ' ' A' ' 89' ' ' HIS . 35.2 t-80 168.56 119.62 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 173.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -57.86 131.07 49.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.225 0.536 . . . . 0.0 110.869 -175.596 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 25.9 p-80 -143.85 148.5 35.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.813 -172.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -163.19 142.26 8.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.082 176.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.4 m170 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.128 -0.939 . . . . 0.0 109.735 172.799 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.2 tpp . . . . . 0 N--CA 1.478 0.957 0 CA-C-O 120.804 0.335 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.625 ' HE1' ' HE3' ' A' ' 7' ' ' LYS . 3.9 p90 -85.3 164.69 17.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.434 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.3 p -102.63 -171.84 2.03 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.894 -175.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 7' ' ' LYS . . . -57.35 -34.39 68.76 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.742 -176.451 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.4 -36.75 83.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.722 0.296 . . . . 0.0 111.419 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -70.45 -35.63 73.45 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 176.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.625 ' HE3' ' HE1' ' A' ' 2' ' ' TYR . 32.5 mmtp -59.48 -32.67 70.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.807 176.268 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.04 -36.41 72.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.837 -178.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -62.45 -42.43 99.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.258 0.552 . . . . 0.0 109.935 177.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 64.6 mt -65.66 -43.29 93.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.963 176.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -54.56 -36.48 64.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.834 -1.076 . . . . 0.0 111.772 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -66.42 -25.4 66.74 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -179.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.37 -49.92 3.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.966 0.412 . . . . 0.0 111.477 -177.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 84.6 m -63.31 -23.87 67.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.271 -177.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -51.1 -33.66 27.14 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.738 0.304 . . . . 0.0 111.106 177.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 16' ' ' ARG . 20.6 ttm-85 -101.17 -48.24 4.47 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 173.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.428 ' O ' ' HB3' ' A' ' 18' ' ' MET . . . 87.68 -29.62 5.31 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.627 -0.715 . . . . 0.0 113.338 174.312 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.428 ' HB3' ' O ' ' A' ' 17' ' ' GLY . 14.0 ttt 66.02 100.97 0.04 OUTLIER 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -173.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.7 mt -54.84 -30.69 58.17 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -167.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -68.19 -20.32 64.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.824 0.345 . . . . 0.0 111.315 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 21' ' ' LEU . 26.5 mt -120.8 -30.27 4.48 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.062 -175.341 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -53.07 -44.16 67.27 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.355 0.662 . . . . 0.0 112.224 -176.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.7 m -66.63 -13.53 16.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.112 -176.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.8 t -106.67 -46.34 8.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.938 0.399 . . . . 0.0 110.78 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 62.1 mt -67.02 -46.7 84.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.169 -175.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.425 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 43.9 ttm -57.58 -54.39 55.56 Favored Pre-proline 0 CA--C 1.536 0.425 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -173.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.425 ' HD2' ' N ' ' A' ' 26' ' ' MET . 28.4 Cg_endo -63.87 -37.05 46.85 Favored 'Trans proline' 0 C--N 1.357 0.977 0 C-N-CA 121.781 1.654 . . . . 0.0 112.138 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -60.7 -47.61 85.48 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.236 178.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.404 ' O ' ' HB2' ' A' ' 33' ' ' PHE . 81.6 t80 -58.67 -48.83 79.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.786 -178.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -59.21 -45.34 91.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.117 0.484 . . . . 0.0 111.548 -177.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -72.92 -51.61 17.83 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.362 -0.835 . . . . 0.0 112.01 -177.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.47 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 6.9 t -83.2 -19.87 35.71 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -167.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.404 ' HB2' ' O ' ' A' ' 29' ' ' PHE . 86.1 t80 -50.88 -38.42 49.47 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.852 0.358 . . . . 0.0 111.749 -177.576 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -65.83 -21.99 66.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.254 0.549 . . . . 0.0 111.461 -179.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.0 m -113.65 1.51 14.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.441 -176.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 70.7 mt -89.63 135.17 33.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.854 0.359 . . . . 0.0 110.86 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.9 161.16 25.72 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.578 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -64.02 -34.83 78.9 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -174.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.1 m -56.63 -47.58 79.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.979 0.419 . . . . 0.0 110.314 172.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -61.81 -38.65 88.92 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.359 0.6 . . . . 0.0 110.207 177.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.411 ' O ' HG23 ' A' ' 45' ' ' VAL . 78.5 mt-30 -65.41 -39.07 91.71 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.993 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -66.09 -45.48 81.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.778 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -59.95 -36.47 77.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.517 176.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -62.51 -43.53 98.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.705 177.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 41' ' ' GLN . 92.2 t -66.23 -48.19 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.406 178.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.76 -37.97 77.42 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.014 178.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 30.1 tp -54.94 -50.4 68.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.567 176.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.1 mt -67.05 -27.77 67.66 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.026 -172.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -79.65 -14.21 58.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.618 0.247 . . . . 0.0 111.259 179.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.9 m -101.76 150.75 22.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.218 0.532 . . . . 0.0 111.955 -172.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -93.76 103.22 15.36 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 172.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 1.067 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . 53.1 m-20 -125.2 85.7 57.85 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -170.474 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -75.61 -35.6 2.65 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.872 2.382 . . . . 0.0 111.454 174.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.435 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 10.2 p-10 -69.7 -32.11 70.5 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.199 0.523 . . . . 0.0 109.753 178.092 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.067 ' HB2' ' HB3' ' A' ' 52' ' ' ASP . 0.7 OUTLIER -70.09 -35.96 74.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.259 175.89 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -57.83 -30.59 65.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.339 0.59 . . . . 0.0 110.153 174.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 54' ' ' ASP . . . -67.02 -21.92 65.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.165 176.693 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.492 ' HE1' ' HA ' ' A' ' 64' ' ' ARG . 14.3 m95 -78.0 -30.96 50.35 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.423 174.401 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.5 t -58.61 -34.84 52.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.377 175.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 23.3 ptm -96.8 -9.57 28.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.723 177.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.36 35.91 36.02 Favored Glycine 0 CA--C 1.52 0.349 0 CA-C-N 116.002 -0.545 . . . . 0.0 114.045 173.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -135.79 18.91 3.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 117.168 0.484 . . . . 0.0 111.728 -178.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -128.71 -178.97 15.63 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 119.913 -1.136 . . . . 0.0 113.079 -176.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.492 ' HA ' ' HE1' ' A' ' 58' ' ' TRP . 12.9 mmt180 -138.53 148.52 44.35 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 122.449 0.3 . . . . 0.0 110.256 176.574 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 96.9 m -135.0 159.43 41.54 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.329 -177.405 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -77.45 -36.47 52.97 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -174.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.403 ' ND2' ' HG ' ' A' ' 70' ' ' LEU . 20.5 p-10 -111.7 113.67 26.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.502 0.668 . . . . 0.0 110.48 178.624 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.2 mt -71.93 -12.3 61.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.818 -176.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.63 -47.47 88.22 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.39 173.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.604 ' HB3' HD11 ' A' ' 55' ' ' LEU . 30.1 mt -66.1 -39.79 90.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.114 0.483 . . . . 0.0 110.499 176.393 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.59 -39.54 91.56 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.395 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.37 -44.18 97.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.113 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.522 ' O ' HG13 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -61.06 -47.08 88.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.598 177.873 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.735 HG21 HD22 ' A' ' 55' ' ' LEU . 97.3 t -64.83 -40.54 89.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.331 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -55.54 -42.46 74.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.281 0.562 . . . . 0.0 110.771 178.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -68.26 -34.46 76.25 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.737 178.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 73' ' ' MET . 68.7 mt -65.03 -43.78 96.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.976 0.417 . . . . 0.0 110.072 175.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 74' ' ' VAL . 88.3 t -59.91 -41.61 86.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.649 178.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.34 -36.95 74.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.083 177.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -72.59 -37.17 68.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.155 0.502 . . . . 0.0 110.597 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -67.11 -35.51 79.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.6 179.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.4 tt -54.21 -38.79 66.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.011 178.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.57 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 19.4 m -62.9 -42.25 99.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 177.261 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -63.04 -33.59 75.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.788 0.328 . . . . 0.0 110.975 178.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 58.5 t -75.16 -33.49 28.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.255 0.55 . . . . 0.0 110.639 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.506 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 27.0 ptt180 -83.46 -7.14 59.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.139 0.495 . . . . 0.0 110.292 179.13 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 83' ' ' SER . 56.0 mt -84.43 -77.6 0.26 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.286 174.027 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -109.47 108.1 18.48 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.705 0.261 . . . . 0.0 111.705 -174.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 41.1 m80 66.02 111.18 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.564 0.697 . . . . 0.0 111.62 177.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -89.44 98.54 11.82 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.54 -174.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -111.19 105.13 13.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.273 177.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -127.6 2.31 6.17 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 75.2 m80 60.72 80.9 0.2 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.154 -175.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 . . . . . 0 C--O 1.244 0.783 0 CA-C-O 118.618 -0.706 . . . . 0.0 109.726 -176.976 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ttt . . . . . 0 N--CA 1.478 0.957 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.433 ' HD2' ' HB3' ' A' ' 6' ' ' GLN . 55.9 m-85 -69.18 97.07 0.88 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.586 0.707 . . . . 0.0 110.046 171.269 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.6 p -104.68 -161.62 0.83 Allowed 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.561 -173.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.71 -39.81 65.54 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -175.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -61.04 -45.35 95.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.475 0.655 . . . . 0.0 110.078 178.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.461 ' HA ' ' HG2' ' A' ' 9' ' ' ARG . 13.4 mm100 -70.3 -32.16 69.81 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.973 -179.694 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.1 mttt -64.01 -33.71 76.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.712 0.291 . . . . 0.0 110.688 174.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.95 -36.85 84.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.869 0.366 . . . . 0.0 110.351 175.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.461 ' HG2' ' HA ' ' A' ' 6' ' ' GLN . 22.4 mmt180 -63.03 -39.11 93.78 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.454 0.645 . . . . 0.0 109.501 176.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 64.1 mt -64.57 -42.17 94.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.321 177.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -56.02 -36.98 68.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.027 178.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 19.0 m95 -64.26 -37.65 88.22 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.92 0.391 . . . . 0.0 111.187 176.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.97 -38.91 72.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.652 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 58.0 m -67.49 -42.19 83.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.054 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.419 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 28.3 ttt180 -85.04 31.01 0.56 Allowed 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.467 0.651 . . . . 0.0 110.39 178.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -61.57 -41.33 97.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.434 174.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 156.48 -27.73 0.55 Allowed Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.381 -176.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.4 tpt -78.44 68.15 4.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.486 0.66 . . . . 0.0 109.705 176.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.564 ' HA ' ' HB3' ' A' ' 22' ' ' ASP . 85.3 mt -64.77 -22.64 67.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.41 -176.685 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -56.75 -33.97 67.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.552 176.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.508 ' HA ' HG22 ' A' ' 24' ' ' VAL . 75.9 mt -96.04 -31.55 12.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.663 178.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.564 ' HB3' ' HA ' ' A' ' 19' ' ' LEU . 15.5 t70 -48.58 -44.73 37.12 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.186 0.517 . . . . 0.0 111.794 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.486 HG23 HG13 ' A' ' 24' ' ' VAL . 27.7 m -76.95 -11.17 13.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -176.171 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.508 HG22 ' HA ' ' A' ' 21' ' ' LEU . 33.1 m -116.14 -18.82 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -177.672 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 21' ' ' LEU . 69.2 mt -70.29 -39.92 77.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 O-C-N 122.13 -0.356 . . . . 0.0 111.209 -179.532 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.498 ' HA ' ' CE ' ' A' ' 26' ' ' MET . 19.1 mmt -54.91 -53.83 56.63 Favored Pre-proline 0 CA--C 1.538 0.512 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -174.435 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' A' ' 26' ' ' MET . 18.7 Cg_endo -60.25 -43.99 31.43 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 121.798 1.665 . . . . 0.0 112.582 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.428 ' HD1' ' O ' ' A' ' 24' ' ' VAL . 55.9 m-85 -66.49 -39.44 88.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.826 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.514 ' HZ ' HE21 ' A' ' 41' ' ' GLN . 91.3 t80 -58.29 -48.45 80.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.509 177.365 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.81 -45.52 92.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.854 -177.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.487 ' HG3' ' N ' ' A' ' 32' ' ' CYS . 2.5 pt-20 -73.56 -45.34 53.95 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.958 -179.076 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.487 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 83.3 m -72.12 -32.34 66.86 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 122.431 -0.168 . . . . 0.0 111.246 -175.409 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -56.3 -33.38 65.49 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.025 0.44 . . . . 0.0 110.877 178.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -57.7 -26.06 61.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.973 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.2 p -109.68 -20.08 12.95 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.653 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.6 mt -96.45 118.72 33.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.832 0.349 . . . . 0.0 110.113 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.77 174.89 11.12 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.988 -174.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.26 -36.63 84.31 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -174.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.5 m -57.39 -38.89 75.0 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.258 0.551 . . . . 0.0 110.391 174.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -71.37 -45.72 62.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.887 177.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.514 HE21 ' HZ ' ' A' ' 29' ' ' PHE . 52.9 tt0 -57.18 -42.19 80.69 Favored 'General case' 0 N--CA 1.433 -1.286 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.637 178.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -57.86 -41.01 81.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.263 -177.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -69.28 -41.06 77.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.261 0.553 . . . . 0.0 109.863 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -63.89 -46.15 86.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.252 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 41' ' ' GLN . 85.0 t -61.79 -42.01 92.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.378 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.89 -34.41 67.87 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.331 177.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.436 HD22 HD13 ' A' ' 70' ' ' LEU . 56.4 tp -67.98 -44.53 76.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.037 177.241 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.0 mt -64.32 -22.07 66.83 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 112.08 -175.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -71.69 -18.64 62.16 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.162 0.506 . . . . 0.0 110.816 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.8 m -109.13 -162.76 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.556 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.424 ' HB3' ' HD3' ' A' ' 53' ' ' PRO . 1.0 OUTLIER -71.23 164.88 24.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.02 0.438 . . . . 0.0 110.527 174.178 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -121.14 52.88 3.16 Favored Pre-proline 0 C--N 1.32 -0.707 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -175.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.424 ' HD3' ' HB3' ' A' ' 51' ' ' ASP . 71.1 Cg_endo -78.64 -34.89 1.23 Allowed 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 121.424 1.416 . . . . 0.0 111.332 178.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.01 -46.35 89.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.591 177.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.426 ' O ' HG23 ' A' ' 59' ' ' VAL . 2.9 tt -66.19 -49.8 66.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.575 -179.12 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -58.21 -48.06 81.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.783 -178.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.22 -34.36 70.73 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -174.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 24.9 m95 -83.56 -27.52 29.23 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.366 -0.534 . . . . 0.0 112.186 -175.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.517 ' HA ' HG22 ' A' ' 78' ' ' VAL . 52.9 t -62.02 -41.93 92.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 121.037 0.446 . . . . 0.0 110.631 173.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 67.8 mtm -83.15 -20.42 34.77 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.226 176.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.31 51.08 4.05 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 121.022 -0.609 . . . . 0.0 113.09 174.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -162.96 91.72 0.74 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.658 -0.319 . . . . 0.0 110.395 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 160.01 176.48 32.14 Favored Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.019 178.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -107.6 167.61 9.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.94 0.4 . . . . 0.0 110.736 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 44.9 t -155.54 144.2 20.43 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 176.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -84.0 -37.72 21.84 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.086 0.47 . . . . 0.0 110.625 -177.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.416 ' HB2' HD12 ' A' ' 70' ' ' LEU . 93.0 m-20 -102.17 105.39 16.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.548 -178.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.7 mt -74.93 -19.53 60.09 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.919 -178.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.01 -42.63 99.74 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.558 174.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.606 ' O ' ' HG3' ' A' ' 73' ' ' MET . 85.9 mt -62.73 -47.93 81.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.079 0.466 . . . . 0.0 110.275 173.522 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.76 -31.35 68.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.09 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.477 ' O ' ' HG3' ' A' ' 76' ' ' LYS . . . -62.2 -45.33 93.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.21 179.323 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.606 ' HG3' ' O ' ' A' ' 70' ' ' LEU . 4.2 ppp? -74.03 -28.89 61.65 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.56 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.521 ' O ' HG23 ' A' ' 78' ' ' VAL . 86.9 t -67.21 -40.76 85.77 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 176.563 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -55.06 -38.28 67.84 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.968 177.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 72' ' ' ALA . 54.6 mttm -66.4 -34.2 77.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.573 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 71.6 mt -71.25 -42.53 74.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.911 174.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 74' ' ' VAL . 93.9 t -58.65 -34.42 51.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.918 179.055 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.9 -42.88 76.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.992 178.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.426 ' HB2' ' HE2' ' A' ' 28' ' ' PHE . 69.6 m-70 -66.38 -42.76 87.48 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 120.884 0.373 . . . . 0.0 110.52 177.58 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.485 ' O ' HG23 ' A' ' 85' ' ' VAL . 27.3 t-20 -63.59 -43.63 96.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.437 -179.423 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.2 tt -63.11 -39.84 95.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.857 178.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.0 t -63.68 -38.12 89.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.206 177.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -58.62 -40.99 84.91 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.881 0.372 . . . . 0.0 110.353 174.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 81' ' ' ASN . 58.4 t -66.07 -42.48 91.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.835 -178.695 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -75.81 -24.97 55.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.023 0.439 . . . . 0.0 110.536 -179.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 64.0 tp -76.33 -45.45 32.17 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.44 178.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -70.62 -21.76 62.6 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.883 176.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.0 t60 63.26 41.8 7.54 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.387 165.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -95.59 58.09 1.97 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.856 0.36 . . . . 0.0 111.569 -174.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 65.94 4.83 3.16 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 168.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -85.43 97.05 9.79 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 119.985 -0.686 . . . . 0.0 110.73 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -101.65 -47.4 4.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.579 175.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.7 t60 . . . . . 0 C--O 1.249 1.071 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.83 -176.158 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.5 mtp . . . . . 0 N--CA 1.484 1.226 0 CA-C-O 120.933 0.397 . . . . 0.0 111.752 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.23 123.41 40.71 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 173.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.3 p -126.29 -170.36 2.18 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -171.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.21 -37.35 72.08 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -174.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -60.56 -44.13 96.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.231 0.538 . . . . 0.0 110.532 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.617 ' HA ' ' HD3' ' A' ' 9' ' ' ARG . 23.5 mp0 -66.59 -33.38 75.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.726 177.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.554 ' HA ' HD12 ' A' ' 10' ' ' ILE . 93.7 mttt -65.21 -34.84 79.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.666 0.269 . . . . 0.0 110.922 177.621 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.483 ' O ' ' HD1' ' A' ' 12' ' ' TRP . . . -62.24 -38.13 88.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.612 178.169 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.617 ' HD3' ' HA ' ' A' ' 6' ' ' GLN . 40.7 mtp180 -62.14 -37.83 86.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.94 177.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.66 HD13 ' HZ ' ' A' ' 29' ' ' PHE . 56.6 mt -66.03 -43.27 92.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.382 177.462 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -55.47 -35.37 65.44 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.698 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.555 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 15.8 m95 -58.95 -40.4 84.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.474 0.178 . . . . 0.0 111.354 177.401 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.19 -21.86 62.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.086 0.469 . . . . 0.0 111.155 -178.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 45.1 m -73.23 -22.14 60.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.808 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.555 ' HB2' ' O ' ' A' ' 12' ' ' TRP . 1.4 mpt_? -53.8 172.35 0.08 Allowed 'General case' 0 C--O 1.233 0.223 0 N-CA-C 113.515 0.932 . . . . 0.0 113.515 -174.233 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -64.74 118.83 9.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.787 -1.097 . . . . 0.0 111.534 -171.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -165.35 -48.82 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.751 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.426 178.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.685 ' HG2' ' HG ' ' A' ' 21' ' ' LEU . 23.4 tpp -144.78 95.45 2.7 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.4 mt -66.97 -26.25 66.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.116 0.484 . . . . 0.0 110.884 -177.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -62.86 -31.09 72.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.023 178.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.685 ' HG ' ' HG2' ' A' ' 18' ' ' MET . 86.7 mt -92.18 -19.19 22.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.893 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -55.86 -45.81 78.39 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.313 -178.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.2 m -81.11 -10.58 12.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.077 -176.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 52.6 t -98.82 -46.59 12.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 120.763 0.316 . . . . 0.0 110.92 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 75.7 mt -84.03 -52.01 13.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.872 -174.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.668 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 53.1 ttp -57.82 -53.64 63.67 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -172.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.668 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 32.3 Cg_exo -60.34 -36.85 85.78 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 121.864 1.709 . . . . 0.0 111.994 179.026 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -65.66 -42.92 90.77 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.911 0.386 . . . . 0.0 110.188 177.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.66 ' HZ ' HD13 ' A' ' 10' ' ' ILE . 87.9 t80 -57.12 -48.9 77.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.262 178.209 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 26' ' ' MET . 9.1 mt-10 -61.86 -35.25 77.76 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.016 0.436 . . . . 0.0 111.131 -179.39 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -68.12 -52.39 35.4 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.723 176.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.409 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 12.5 t -82.51 -26.98 32.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.127 -169.452 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -53.34 -35.58 60.37 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 122.776 0.43 . . . . 0.0 111.203 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -61.62 -34.64 76.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.731 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.2 t -88.24 -40.87 13.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.055 -177.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 71.3 mt -64.68 136.19 56.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.545 -175.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.513 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 36.3 p -81.71 164.82 21.49 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 170.682 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -50.9 -41.4 58.45 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -175.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.0 m -60.52 -45.25 94.52 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.616 0.246 . . . . 0.0 111.576 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -66.22 -40.15 90.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.59 0.709 . . . . 0.0 109.739 177.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.538 ' O ' HG23 ' A' ' 45' ' ' VAL . 96.3 mt-30 -61.7 -44.22 97.34 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.711 178.369 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -64.16 -44.54 91.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.607 -174.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.3 -39.81 88.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.024 0.44 . . . . 0.0 110.657 176.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.468 ' CE1' HD11 ' A' ' 77' ' ' ILE . 45.5 t80 -68.02 -40.84 82.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.495 178.413 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 41' ' ' GLN . 85.9 t -64.08 -39.25 84.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-O 120.715 0.293 . . . . 0.0 110.601 177.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.24 -36.0 72.55 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.508 176.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.739 HD21 HD13 ' A' ' 70' ' ' LEU . 78.6 mt -67.19 -39.23 86.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.972 175.168 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.5 mt -71.0 -37.66 72.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.174 -175.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -83.27 -14.1 53.82 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.845 0.355 . . . . 0.0 111.195 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.4 t -84.17 -169.79 2.77 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 176.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.599 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 7.5 t70 -84.94 166.93 16.38 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 175.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.516 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 11.7 p-10 -119.8 53.12 2.42 Favored Pre-proline 0 CA--C 1.541 0.601 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -174.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.599 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 6.2 Cg_endo -86.64 -55.32 0.02 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 121.605 1.537 . . . . 0.0 111.321 176.387 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -69.96 -32.74 71.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.371 176.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.412 ' O ' HG23 ' A' ' 59' ' ' VAL . 5.4 tt -66.13 -49.9 65.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.707 178.024 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.421 ' HB2' ' O ' ' A' ' 52' ' ' ASP . 41.6 t80 -61.13 -33.01 72.7 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.124 0.488 . . . . 0.0 110.427 178.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.887 ' HB1' ' HA3' ' A' ' 63' ' ' GLY . . . -62.37 -37.41 85.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.746 -177.411 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.451 ' HB2' HG11 ' A' ' 74' ' ' VAL . 29.6 m95 -78.52 -31.63 47.68 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.047 178.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.544 ' HA ' HG22 ' A' ' 78' ' ' VAL . 81.5 t -62.84 -40.1 87.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.934 0.397 . . . . 0.0 110.692 177.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 24.3 mmt -90.96 -11.2 39.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.247 178.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.08 34.47 70.36 Favored Glycine 0 C--O 1.227 -0.285 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.687 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -126.34 24.57 6.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.155 0.503 . . . . 0.0 110.109 -173.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.887 ' HA3' ' HB1' ' A' ' 57' ' ' ALA . . . -165.28 179.41 39.78 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.396 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 44.2 mtm180 -140.19 172.2 13.08 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 122.35 0.26 . . . . 0.0 110.395 -178.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.657 ' SG ' ' HB2' ' A' ' 71' ' ' ALA . 25.7 p -142.04 171.49 13.98 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 173.618 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -85.64 -34.32 21.38 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -173.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.481 HD21 HD12 ' A' ' 70' ' ' LEU . 14.8 p-10 -111.33 118.14 35.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.502 0.668 . . . . 0.0 111.309 -177.39 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.545 ' HA ' ' HB3' ' A' ' 71' ' ' ALA . 54.2 mt -75.0 -14.57 60.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.063 -175.09 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.79 -47.13 91.47 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.439 -0.886 . . . . 0.0 111.293 175.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.739 HD13 HD21 ' A' ' 47' ' ' LEU . 15.7 mt -71.25 -35.87 71.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.879 0.371 . . . . 0.0 110.415 174.499 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.657 ' HB2' ' SG ' ' A' ' 65' ' ' CYS . . . -60.64 -38.94 86.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.368 179.097 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.465 ' O ' ' HG3' ' A' ' 76' ' ' LYS . . . -58.8 -37.01 75.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 90.7 mmm -64.83 -44.55 89.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.381 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.491 ' O ' HG23 ' A' ' 78' ' ' VAL . 21.7 t -68.94 -37.1 76.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.611 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -58.92 -40.29 84.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.647 177.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 72' ' ' ALA . 44.5 mtpt -64.92 -34.24 77.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.536 177.626 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.468 HD11 ' CE1' ' A' ' 44' ' ' PHE . 60.6 mt -61.58 -45.72 98.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 173.514 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.544 HG22 ' HA ' ' A' ' 59' ' ' VAL . 45.2 t -60.81 -41.1 87.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.851 179.334 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.13 -36.67 80.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.019 0.438 . . . . 0.0 110.749 178.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 -63.72 -42.18 97.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.05 176.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.709 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 52.8 t30 -69.93 -47.08 63.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.777 178.31 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 73.3 mt -57.03 -31.19 64.89 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.339 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.624 ' HA ' ' HG2' ' A' ' 86' ' ' ARG . 67.8 m -67.26 -42.98 83.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.489 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.709 ' HG2' ' O ' ' A' ' 81' ' ' ASN . 11.9 ptmm? -70.99 -26.76 63.28 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.373 -0.531 . . . . 0.0 109.838 177.149 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 81' ' ' ASN . 70.9 t -72.17 -43.2 66.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.926 177.04 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.624 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 25.5 ptt85 -76.19 -17.23 59.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.265 0.555 . . . . 0.0 110.492 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.498 HD22 ' HG3' ' A' ' 88' ' ' GLU . 1.7 tt -72.32 -58.82 3.1 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.493 179.055 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.498 ' HG3' HD22 ' A' ' 87' ' ' LEU . 47.4 mt-10 -129.75 -78.42 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.779 0.323 . . . . 0.0 111.516 -178.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -73.96 96.7 2.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.914 -173.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -80.11 87.46 5.47 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.917 178.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 -125.65 136.01 52.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.601 -178.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 66.56 95.92 0.06 Allowed 'General case' 0 C--N 1.33 -0.242 0 O-C-N 124.108 0.88 . . . . 0.0 111.114 -177.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -97.91 -48.26 5.24 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 174.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 8.7 p80 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 119.004 -0.522 . . . . 0.0 109.746 175.584 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.3 mmt . . . . . 0 N--CA 1.487 1.393 0 N-CA-C 111.66 0.245 . . . . 0.0 111.66 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -132.77 107.09 8.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.187 0.517 . . . . 0.0 110.719 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.1 p -94.27 -168.51 1.87 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.963 177.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.76 -39.23 76.93 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.915 -178.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -60.6 -42.18 96.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.366 0.603 . . . . 0.0 111.066 -178.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.65 -47.61 77.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.253 -176.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -67.89 -30.47 69.83 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.165 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.47 ' O ' ' HB3' ' A' ' 11' ' ' LYS . . . -62.17 -42.78 99.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.069 177.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.6 mtm-85 -66.6 -32.91 74.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.968 0.413 . . . . 0.0 110.892 176.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.5 mt -65.55 -42.62 93.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.001 173.165 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 8' ' ' ALA . 23.6 tptm -54.43 -36.27 63.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.358 176.647 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -66.41 -22.64 66.23 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.764 0.316 . . . . 0.0 111.473 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.45 28.29 4.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.952 0.406 . . . . 0.0 110.749 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 p -59.94 -24.8 64.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.382 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.19 122.87 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.536 0.684 . . . . 0.0 111.943 175.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.545 ' H ' ' HD2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -93.89 128.66 40.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.153 175.029 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 176.09 -51.4 0.12 Allowed Glycine 0 N--CA 1.443 -0.842 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 92.8 mmm -130.85 117.76 19.79 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 176.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.44 ' O ' HG23 ' A' ' 23' ' ' VAL . 86.9 mt -59.8 -32.25 70.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.881 0.372 . . . . 0.0 110.975 -177.133 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -70.44 -34.93 73.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.217 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.6 mt -72.0 -32.04 66.82 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.022 0.439 . . . . 0.0 110.284 178.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -60.78 -32.4 71.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.557 175.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 19' ' ' LEU . 47.1 t -75.52 -27.3 18.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.861 178.75 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.545 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 98.9 t -67.35 -48.71 76.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.762 -176.612 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 58.4 mt -58.26 -37.56 63.63 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -173.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.708 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 50.7 ttp -58.36 -54.54 54.88 Favored Pre-proline 0 CA--C 1.543 0.689 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -170.627 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.708 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 3.0 Cg_endo -87.8 -31.47 0.21 Allowed 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.137 1.891 . . . . 0.0 113.12 178.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.413 ' CD2' HG23 ' A' ' 77' ' ' ILE . 16.8 m-85 -67.06 -35.57 80.12 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 121.29 -0.164 . . . . 0.0 111.404 -175.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.498 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 67.6 t80 -59.15 -48.36 81.88 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.855 0.359 . . . . 0.0 110.345 176.005 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -54.93 -39.79 69.21 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.555 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -71.04 -51.9 22.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.202 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.547 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 24.2 p -73.9 -29.47 62.07 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -173.366 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -52.25 -36.01 51.39 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.02 0.438 . . . . 0.0 110.988 178.148 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -61.07 -26.62 67.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.065 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.3 p -119.84 10.9 11.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.958 0.408 . . . . 0.0 111.551 -178.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 48.7 mt -95.18 -174.04 3.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.139 0.495 . . . . 0.0 110.959 176.209 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.9 m -146.46 166.97 24.82 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 177.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -58.74 -42.09 87.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.754 0.311 . . . . 0.0 110.553 -177.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.3 p -56.33 -49.9 73.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.002 175.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -65.6 -35.44 80.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.388 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.433 ' O ' HG23 ' A' ' 45' ' ' VAL . 38.4 mt-30 -66.29 -28.22 68.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.083 179.103 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -67.66 -45.91 73.9 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 174.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -64.94 -35.84 82.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.649 176.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.536 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 74.4 t80 -61.42 -50.07 74.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.69 178.124 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 41' ' ' GLN . 85.7 t -66.36 -37.94 80.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.947 0.404 . . . . 0.0 110.4 179.127 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.66 -45.06 95.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 177.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 31.2 tp -66.61 -36.42 82.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.234 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 44' ' ' PHE . 79.1 mt -62.63 -33.15 74.44 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.907 0.384 . . . . 0.0 111.567 -179.628 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -85.49 -13.33 49.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.794 0.331 . . . . 0.0 111.138 178.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.6 m -89.92 172.1 9.11 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.631 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.585 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 37.5 t0 -72.48 156.96 38.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.172 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.523 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 7.5 p-10 -119.92 52.14 2.15 Favored Pre-proline 0 CA--C 1.542 0.671 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -171.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.585 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 2.2 Cg_endo -82.97 -55.68 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 121.783 1.655 . . . . 0.0 111.56 177.643 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.412 ' O ' ' HD1' ' A' ' 58' ' ' TRP . 11.9 p-10 -69.6 -32.47 71.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.566 176.15 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.48 ' O ' HG23 ' A' ' 59' ' ' VAL . 8.3 tt -58.3 -49.74 76.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.888 176.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -59.71 -35.23 74.1 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.813 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.564 ' HB1' ' HA3' ' A' ' 63' ' ' GLY . . . -74.85 -30.76 61.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.98 -176.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.412 ' HD1' ' O ' ' A' ' 54' ' ' ASP . 21.1 m95 -78.77 -28.46 44.77 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.438 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 55' ' ' LEU . 89.0 t -65.4 -32.35 57.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.97 0.414 . . . . 0.0 110.536 177.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 20.0 ptp -94.86 -15.0 24.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.482 175.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.8 51.7 8.99 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.142 -0.551 . . . . 0.0 112.043 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -142.54 20.58 2.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.221 0.534 . . . . 0.0 109.965 -177.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.564 ' HA3' ' HB1' ' A' ' 57' ' ' ALA . . . -134.04 -171.92 12.72 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.263 -0.97 . . . . 0.0 113.039 -174.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.36 149.39 39.33 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -178.438 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 12.8 t -138.03 156.76 47.48 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 177.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -72.27 -41.31 66.86 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -173.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -116.45 137.1 52.43 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.314 -0.555 . . . . 0.0 110.52 -179.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.9 mt -76.64 -13.83 60.02 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.672 178.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.91 -48.38 82.73 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.358 178.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.417 ' O ' HG23 ' A' ' 74' ' ' VAL . 44.8 mt -67.67 -36.32 80.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.134 0.492 . . . . 0.0 110.372 176.367 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.5 -26.79 64.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.712 -0.677 . . . . 0.0 112.034 -178.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.44 -44.55 92.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.612 -177.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -73.53 -28.91 62.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.791 0.329 . . . . 0.0 110.782 178.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 70' ' ' LEU . 60.4 t -66.34 -36.61 77.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.862 0.363 . . . . 0.0 110.057 177.44 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -55.1 -41.76 72.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.885 176.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -63.11 -38.87 92.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.299 0.571 . . . . 0.0 110.041 178.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.413 HG23 ' CD2' ' A' ' 28' ' ' PHE . 76.0 mt -64.86 -48.36 84.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.398 178.044 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 74' ' ' VAL . 65.4 t -61.04 -38.37 79.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.072 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.1 -45.2 91.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.915 0.388 . . . . 0.0 111.352 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -71.89 -36.32 70.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.035 0.445 . . . . 0.0 110.348 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.412 ' O ' HG23 ' A' ' 85' ' ' VAL . 51.5 t30 -64.36 -43.82 93.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.016 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.428 ' O ' HD23 ' A' ' 82' ' ' LEU . 5.0 tt -57.43 -34.88 69.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.986 0.422 . . . . 0.0 109.882 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.549 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 46.6 t -63.57 -51.58 64.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.21 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 15.4 ptmm? -68.16 -22.84 64.83 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.972 0.415 . . . . 0.0 110.816 -177.123 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 81' ' ' ASN . 98.3 t -79.73 -32.31 14.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.446 177.064 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.415 ' HG2' ' O ' ' A' ' 83' ' ' SER . 7.0 ptt180 -80.3 -27.07 38.56 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.811 0.338 . . . . 0.0 110.477 -179.044 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 83' ' ' SER . 87.9 mt -69.55 -42.93 73.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.519 178.619 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -90.28 -176.86 4.95 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.74 174.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -94.0 76.3 4.13 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.676 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.449 ' O ' ' HB2' ' A' ' 91' ' ' HIS . 8.1 t-80 49.92 -89.02 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 114.508 -1.224 . . . . 0.0 113.392 170.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.449 ' HB2' ' O ' ' A' ' 90' ' ' HIS . 88.1 m-70 71.06 161.36 0.23 Allowed 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.584 0.754 . . . . 0.0 110.561 -170.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 67.6 m80 64.64 72.74 0.44 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.39 0.614 . . . . 0.0 109.584 -174.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -97.85 -14.41 20.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.192 -174.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.8 t60 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.717 -0.659 . . . . 0.0 109.836 179.089 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.4 ttm . . . . . 0 N--CA 1.476 0.849 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.633 ' HD1' ' HG2' ' A' ' 6' ' ' GLN . 88.5 m-85 -123.65 125.11 44.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.846 0.355 . . . . 0.0 111.06 -177.567 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.8 p -81.43 178.93 8.07 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.376 177.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.87 -45.64 82.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.792 0.329 . . . . 0.0 111.66 -176.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -67.42 -42.82 82.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.266 0.555 . . . . 0.0 110.572 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.633 ' HG2' ' HD1' ' A' ' 2' ' ' TYR . 25.3 tt0 -70.05 -39.0 75.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.508 -175.398 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -31.91 71.59 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.967 0.413 . . . . 0.0 110.158 177.177 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.625 ' O ' ' HG3' ' A' ' 11' ' ' LYS . . . -59.71 -35.75 75.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.899 177.501 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 -61.77 -30.83 71.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.226 0.536 . . . . 0.0 109.744 178.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 63.5 mt -73.18 -44.7 55.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.15 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.667 ' HA ' ' SG ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -66.5 -34.78 78.7 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.464 -178.582 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.404 ' HD1' ' O ' ' A' ' 8' ' ' ALA . 14.2 m95 -59.69 -39.07 83.32 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.857 0.36 . . . . 0.0 110.606 172.593 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.33 -40.93 42.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.597 -175.293 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.776 ' HB3' HD13 ' A' ' 48' ' ' LEU . 29.0 p -66.81 -28.38 68.32 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -175.649 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -92.81 80.13 4.69 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.43 0.633 . . . . 0.0 110.773 -178.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -139.05 165.85 26.04 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.484 174.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.66 -61.49 3.82 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.777 -0.725 . . . . 0.0 111.944 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.4 ptt? -156.32 139.36 15.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.057 0.456 . . . . 0.0 111.055 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.6 mt -69.61 -20.39 63.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.815 -178.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -58.85 -20.95 55.46 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.0 mt -84.75 -14.88 46.92 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.384 178.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -57.14 -41.43 79.11 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.017 0.437 . . . . 0.0 110.731 -179.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.1 t -64.51 -33.07 60.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.837 -176.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.5 m -103.16 8.49 9.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.939 0.399 . . . . 0.0 111.855 -174.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 39.7 mm -119.06 -53.61 3.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 121.026 -0.27 . . . . 0.0 111.386 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.465 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 24.7 ttt -55.04 -54.67 47.62 Favored Pre-proline 0 CA--C 1.54 0.561 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -170.411 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.465 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 60.8 Cg_endo -73.76 -34.84 5.01 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 121.423 1.415 . . . . 0.0 112.808 -176.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.437 ' CE1' ' HB3' ' A' ' 80' ' ' HIS . 22.2 m-30 -70.35 -36.47 74.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.477 -179.592 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -56.84 -41.05 77.21 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.586 176.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 26' ' ' MET . 23.0 mt-10 -56.82 -42.76 80.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.27 0.557 . . . . 0.0 110.455 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -74.65 -50.43 17.74 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.44 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.573 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 74.0 m -61.17 -47.51 85.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.394 -176.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.42 ' HD1' ' NE2' ' A' ' 41' ' ' GLN . 93.6 t80 -58.99 -35.19 72.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.046 0.451 . . . . 0.0 111.063 -178.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -65.28 -28.21 69.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.444 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.9 m -110.89 -26.09 9.5 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -172.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 62.2 mt -80.35 165.61 22.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.21 0.528 . . . . 0.0 111.284 -175.139 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 33.4 p -102.66 162.77 12.66 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.594 177.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -60.1 -36.2 76.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.675 0.274 . . . . 0.0 111.63 -176.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.1 m -56.93 -44.56 82.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 175.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -71.34 -34.56 70.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.067 177.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.427 ' O ' HG23 ' A' ' 45' ' ' VAL . 14.0 mm100 -65.19 -31.6 72.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.224 178.672 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -60.2 -45.68 92.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.089 0.471 . . . . 0.0 109.769 175.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.7 -41.84 87.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.687 175.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.554 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 72.7 t80 -62.61 -46.18 89.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.266 -178.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 41' ' ' GLN . 89.7 t -65.48 -38.34 82.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 178.315 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.87 -38.29 72.54 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.176 0.513 . . . . 0.0 110.561 175.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.9 -43.33 88.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.918 177.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.776 HD13 ' HB3' ' A' ' 14' ' ' CYS . 68.4 mt -66.98 -30.03 70.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.509 -176.679 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -80.85 -13.63 58.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.196 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.9 m -95.73 175.13 6.64 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.139 0.495 . . . . 0.0 111.668 -175.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.534 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 25.4 t70 -80.34 159.45 25.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.046 174.446 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.503 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 7.9 p-10 -117.54 52.12 1.24 Allowed Pre-proline 0 CA--C 1.546 0.794 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -169.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.534 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 2.2 Cg_endo -83.95 -55.0 0.03 OUTLIER 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 121.702 1.601 . . . . 0.0 110.834 174.501 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -62.3 -36.7 82.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.82 176.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.433 ' O ' HG23 ' A' ' 59' ' ' VAL . 6.4 tt -63.34 -50.33 70.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.908 -179.123 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -61.37 -35.15 76.66 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.089 0.471 . . . . 0.0 110.671 178.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.74 -32.48 74.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.512 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -79.37 -28.07 41.95 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.187 -0.205 . . . . 0.0 111.519 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 55' ' ' LEU . 72.8 t -60.94 -39.57 82.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.197 0.523 . . . . 0.0 109.761 173.679 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.6 mmt -83.15 -22.13 33.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.112 176.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.31 48.76 6.21 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.423 177.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -142.31 27.23 1.75 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.14 0.495 . . . . 0.0 110.574 -178.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -128.91 -179.27 15.83 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.69 -177.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -127.96 164.0 23.28 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 178.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 52.9 m -144.41 136.34 26.06 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.989 174.137 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -70.88 -34.6 71.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.619 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.5 ' ND2' ' HG ' ' A' ' 70' ' ' LEU . 16.1 p-10 -121.41 114.94 22.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.274 0.559 . . . . 0.0 109.803 175.457 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 76.7 mt -70.07 -14.84 62.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.391 -176.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.08 -35.81 71.35 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.186 176.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.5 ' HG ' ' ND2' ' A' ' 67' ' ' ASN . 42.2 mt -71.28 -39.67 71.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.328 0.585 . . . . 0.0 110.69 176.723 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.21 -23.98 63.96 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.558 -177.31 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.7 -42.39 79.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.574 -179.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -72.82 -36.42 67.52 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.888 178.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 49.7 t -62.97 -37.76 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.064 0.459 . . . . 0.0 109.976 178.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -54.62 -45.8 73.78 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.821 177.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -66.45 -34.77 78.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.952 -177.254 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 74.2 mt -65.65 -51.12 66.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.147 176.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.4 t -62.4 -42.58 96.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.076 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.55 -36.24 75.79 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.795 0.331 . . . . 0.0 111.153 179.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.437 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 14.3 m80 -71.97 -38.11 69.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.017 0.437 . . . . 0.0 111.489 177.383 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.485 ' O ' HG23 ' A' ' 85' ' ' VAL . 10.6 t30 -67.72 -36.46 80.64 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.076 0.465 . . . . 0.0 109.981 178.089 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.5 tp -58.36 -45.31 88.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.091 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.501 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 15.7 p -70.75 -38.94 73.55 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.901 -175.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.403 ' HG2' ' HA ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -67.58 -29.56 68.94 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.369 178.257 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 81' ' ' ASN . 59.1 t -72.56 -36.31 53.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.871 177.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 83' ' ' SER . 12.2 ptt180 -73.59 -19.66 60.81 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.017 0.437 . . . . 0.0 110.235 179.438 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 54.5 tp -84.94 -52.34 6.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.822 177.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -77.6 -23.86 49.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.913 0.387 . . . . 0.0 111.479 -176.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -135.55 -149.1 0.32 Allowed 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 178.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -127.5 110.74 13.05 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.306 -178.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -152.2 136.53 16.71 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -96.54 -177.77 4.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.608 0.242 . . . . 0.0 110.91 179.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -159.6 161.26 35.06 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.003 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 4.4 t60 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.702 -0.666 . . . . 0.0 109.506 -179.888 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.483 1.178 0 CA-C-O 120.639 0.257 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -128.11 132.81 48.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.241 0.543 . . . . 0.0 111.644 178.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 45.2 p -119.21 174.01 6.59 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.859 177.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.98 -35.1 79.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.191 0.519 . . . . 0.0 109.895 175.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -61.44 -44.05 97.8 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.053 175.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -62.1 -44.87 95.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.556 178.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.439 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 82.6 mttt -59.15 -37.87 78.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.859 176.473 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.2 -42.97 99.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.104 -177.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -61.68 -39.83 92.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.176 0.512 . . . . 0.0 110.216 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.9 mt -69.49 -42.44 80.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.584 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.628 ' HA ' ' SG ' ' A' ' 14' ' ' CYS . 99.5 mttt -58.49 -35.96 73.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.329 176.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.0 m95 -65.59 -31.94 73.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.833 0.349 . . . . 0.0 111.108 176.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.65 -6.39 59.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.593 -178.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.628 ' SG ' ' HA ' ' A' ' 11' ' ' LYS . 71.0 m -66.37 -38.27 87.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.873 0.368 . . . . 0.0 110.812 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -84.72 78.44 9.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.913 0.387 . . . . 0.0 110.677 176.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.1 tpt180 -76.58 -33.74 58.46 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.1 177.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 169.15 -46.69 0.22 Allowed Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.505 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.1 tpt -65.6 102.6 0.74 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.927 0.394 . . . . 0.0 110.191 177.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.7 mt -67.66 -29.86 69.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.416 -174.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -66.46 -20.45 66.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.844 0.354 . . . . 0.0 110.939 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.7 mt -89.33 -7.01 56.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.448 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -62.97 -40.89 99.09 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.289 0.566 . . . . 0.0 110.532 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.6 t -78.8 -10.55 12.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.404 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.508 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 57.4 t -97.84 -61.8 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.352 -177.46 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 66.8 mt -60.13 -40.53 83.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -172.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.774 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 25.3 ttt -61.03 -54.8 50.71 Favored Pre-proline 0 CA--C 1.54 0.569 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -174.145 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.774 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 12.4 Cg_exo -72.11 -37.1 5.01 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 121.817 1.678 . . . . 0.0 112.235 177.081 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -62.34 -34.27 76.33 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.144 178.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.423 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 32.5 t80 -55.75 -47.77 76.41 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 174.072 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -65.21 -34.84 79.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.056 0.455 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 27' ' ' PRO . 72.4 mt-10 -67.91 -49.21 63.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.474 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.551 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 24.0 p -73.57 -36.26 65.56 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.294 -0.162 . . . . 0.0 111.161 -178.072 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -52.28 -36.47 52.93 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.354 0.597 . . . . 0.0 110.516 175.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -68.72 -19.76 64.37 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.891 -178.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.2 m -117.44 -5.48 11.24 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -171.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 79.7 mt -110.47 -179.95 3.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.83 0.348 . . . . 0.0 111.083 -175.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.73 -179.0 5.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.24 174.493 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -51.63 -43.7 62.7 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 122.977 0.511 . . . . 0.0 112.026 -171.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.6 p -55.8 -51.04 68.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.589 -178.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -71.23 -43.52 67.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.29 0.567 . . . . 0.0 110.162 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.48 ' O ' HG23 ' A' ' 45' ' ' VAL . 94.7 mt-30 -58.2 -40.57 81.92 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.848 -178.233 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -66.57 -43.21 85.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.112 0.482 . . . . 0.0 110.451 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -65.39 -35.5 81.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.967 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.455 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 80.4 t80 -64.96 -49.71 69.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.022 177.339 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 41' ' ' GLN . 89.8 t -61.35 -44.28 98.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.849 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.8 -39.44 81.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.511 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.702 HD22 HD22 ' A' ' 70' ' ' LEU . 42.1 tp -67.26 -36.83 82.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.907 -179.153 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 44' ' ' PHE . 93.0 mt -64.04 -22.3 66.87 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.59 -177.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -78.0 -13.1 60.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.725 0.298 . . . . 0.0 111.177 179.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.4 m -99.32 170.62 8.52 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.696 -179.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.537 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 27.3 t70 -67.94 159.65 30.15 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 174.192 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.516 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 12.3 p-10 -118.88 52.46 1.72 Allowed Pre-proline 0 CA--C 1.544 0.721 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 -170.041 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.537 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 9.3 Cg_endo -86.2 -51.43 0.03 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 121.855 1.703 . . . . 0.0 110.98 174.575 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.433 ' OD1' ' HD2' ' A' ' 53' ' ' PRO . 18.4 p-10 -70.08 -32.84 71.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.023 176.145 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.461 ' O ' HG23 ' A' ' 59' ' ' VAL . 7.1 tt -60.23 -50.4 73.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.437 175.538 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -63.73 -33.3 75.33 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.335 178.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.595 ' HB1' ' HA3' ' A' ' 63' ' ' GLY . . . -59.96 -45.82 91.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.741 -178.14 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.413 ' HE1' ' C ' ' A' ' 64' ' ' ARG . 37.4 m95 -74.18 -28.76 61.44 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.386 -178.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 55' ' ' LEU . 95.6 t -66.64 -45.0 89.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-O 120.733 0.302 . . . . 0.0 110.523 175.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.5 ptm -78.29 -18.46 55.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.198 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.28 39.42 8.43 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.366 178.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -153.41 88.74 1.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.595 ' HA3' ' HB1' ' A' ' 57' ' ' ALA . . . 166.89 -174.44 42.23 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.148 -1.025 . . . . 0.0 113.275 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.413 ' C ' ' HE1' ' A' ' 58' ' ' TRP . 27.4 ptt180 -140.44 170.52 15.66 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 122.752 0.421 . . . . 0.0 110.184 -179.48 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 46.5 t -158.24 160.48 37.16 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.102 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -85.01 -33.96 22.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.743 -176.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -119.09 121.21 39.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.932 0.396 . . . . 0.0 110.408 -175.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 63.8 mt -75.34 -13.64 60.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.927 -177.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.96 -37.55 91.48 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.751 176.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.702 HD22 HD22 ' A' ' 47' ' ' LEU . 59.8 mt -68.07 -35.68 78.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.165 0.507 . . . . 0.0 110.682 175.692 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.45 -31.74 70.24 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.794 -178.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.8 -44.05 81.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.623 -177.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.445 ' HG2' ' O ' ' A' ' 70' ' ' LEU . 27.1 ptt? -73.77 -28.36 61.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.657 0.265 . . . . 0.0 110.858 -179.654 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 70' ' ' LEU . 89.5 t -62.97 -38.48 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.117 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.456 178.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -54.75 -41.74 70.79 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.9 177.005 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.4 mmtt -69.0 -39.44 79.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.46 -178.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 44.9 mm -62.93 -51.01 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.375 177.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 95.5 t -61.54 -42.7 95.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.047 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.77 -46.06 90.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.863 0.363 . . . . 0.0 111.226 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.44 -35.7 71.01 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.034 0.445 . . . . 0.0 110.439 -178.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.543 ' O ' HG23 ' A' ' 85' ' ' VAL . 64.3 t30 -69.63 -36.03 75.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.435 179.072 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 tt -54.08 -40.56 67.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.675 -172.139 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.1 p -66.92 -48.03 69.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.818 0.342 . . . . 0.0 111.552 -175.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 81' ' ' ASN . 16.6 ptpt -69.42 -24.19 63.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.791 -179.076 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 81' ' ' ASN . 85.7 t -74.69 -54.62 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.08 0.467 . . . . 0.0 110.776 176.272 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -70.39 -10.23 58.5 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.065 -175.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 38.9 tp -60.37 -42.48 95.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.325 175.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 56.05 91.09 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.825 -178.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 28.4 t-80 -133.61 137.19 45.32 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 176.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -65.02 108.54 1.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.3 0.572 . . . . 0.0 110.873 -178.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -143.19 -31.14 0.5 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.936 -177.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 63.6 t-80 -171.19 -60.84 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.133 178.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 54.35 -128.14 2.28 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -175.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 . . . . . 0 C--O 1.245 0.827 0 CA-C-O 118.201 -0.904 . . . . 0.0 109.09 -179.428 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 N--CA 1.477 0.902 0 CA-C-O 120.892 0.377 . . . . 0.0 110.094 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.524 ' CE2' ' HB3' ' A' ' 6' ' ' GLN . 0.5 OUTLIER -110.0 113.83 26.86 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.719 -177.161 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.454 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 67.8 p -72.22 169.08 16.9 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.865 -171.737 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.47 -31.22 72.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.727 178.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -64.21 -41.58 96.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.859 175.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.524 ' HB3' ' CE2' ' A' ' 2' ' ' TYR . 15.9 mm100 -70.07 -30.19 67.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.422 177.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 3' ' ' THR . 35.2 mmtm -56.79 -39.05 73.4 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.078 0.465 . . . . 0.0 110.397 176.568 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.46 -36.39 80.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.937 179.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -61.21 -35.36 76.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.659 -178.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.8 mt -71.16 -47.57 60.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.5 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.403 ' HD2' ' O ' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -64.85 -38.43 90.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.576 -177.284 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -71.79 -22.28 61.6 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -99.31 -20.01 16.75 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.513 0.561 . . . . 0.0 112.513 -175.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.8 p -73.3 -26.81 61.22 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.832 0.348 . . . . 0.0 111.473 -176.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.422 ' H ' ' HG3' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -80.68 166.82 20.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.975 177.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 16' ' ' ARG . 0.1 OUTLIER 75.38 154.8 0.16 Allowed 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.941 0.776 . . . . 0.0 110.831 -177.045 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.73 -65.79 2.33 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 110.556 -1.017 . . . . 0.0 110.556 -178.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.568 ' HG2' ' HG ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -144.37 95.59 2.74 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 174.377 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.5 mt -60.84 -29.56 69.58 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -172.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -66.63 -29.8 69.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.727 0.299 . . . . 0.0 111.183 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.576 ' O ' HG12 ' A' ' 25' ' ' ILE . 76.5 mt -72.15 -33.62 67.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.108 -178.42 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -51.15 -37.26 45.24 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.041 0.448 . . . . 0.0 111.49 -179.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 36.0 t -61.74 -31.87 52.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.676 -177.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.415 ' C ' ' HD2' ' A' ' 27' ' ' PRO . 27.0 m -105.9 -24.32 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -176.387 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.576 HG12 ' O ' ' A' ' 21' ' ' LEU . 29.1 mm -59.25 -47.24 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 N-CA-C 111.536 0.199 . . . . 0.0 111.536 -178.098 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.653 ' HB2' ' HD3' ' A' ' 27' ' ' PRO . 79.1 mtp -61.28 -52.57 69.98 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -178.125 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.653 ' HD3' ' HB2' ' A' ' 26' ' ' MET . 53.2 Cg_exo -55.93 -41.24 79.16 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.034 1.823 . . . . 0.0 112.803 174.672 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -62.99 -36.57 83.99 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 121.304 -0.158 . . . . 0.0 111.209 178.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.615 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 88.4 t80 -61.27 -38.86 88.27 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 121.26 -0.176 . . . . 0.0 110.586 178.016 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -59.76 -45.35 92.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.555 0.693 . . . . 0.0 110.17 177.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -66.66 -51.33 57.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.6 -1.182 . . . . 0.0 111.841 -178.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.615 ' SG ' ' HA ' ' A' ' 29' ' ' PHE . 24.3 p -73.44 -24.59 60.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.546 -174.454 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -53.16 -35.44 59.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.322 177.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -63.28 -23.74 67.56 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.428 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.2 m -113.06 -7.01 13.69 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -174.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.525 HD22 ' HG2' ' A' ' 40' ' ' GLU . 70.5 mt -112.36 155.69 23.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.838 0.351 . . . . 0.0 111.189 -176.005 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.8 p -115.65 -172.9 2.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.325 177.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -55.32 -40.03 70.67 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.213 0.32 . . . . 0.0 111.52 -176.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.0 p -59.23 -50.35 74.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.221 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.525 ' HG2' HD22 ' A' ' 36' ' ' LEU . 4.7 mp0 -65.52 -37.8 87.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.131 0.491 . . . . 0.0 110.057 178.115 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.476 ' O ' HG23 ' A' ' 45' ' ' VAL . 85.5 mt-30 -61.42 -40.95 96.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.345 178.494 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -66.47 -43.81 84.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.633 0.254 . . . . 0.0 110.831 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.509 ' HB3' HD23 ' A' ' 70' ' ' LEU . 7.1 m-20 -60.07 -40.55 89.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.036 0.445 . . . . 0.0 110.675 176.634 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.437 ' HB2' ' SD ' ' A' ' 73' ' ' MET . 75.4 t80 -63.84 -48.46 76.66 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.804 179.255 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 41' ' ' GLN . 90.1 t -62.86 -36.4 75.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.99 179.018 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.89 -36.01 78.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.003 0.43 . . . . 0.0 110.627 177.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 47' ' ' LEU . 20.5 mt -68.02 -37.52 81.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.166 176.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.0 mt -66.28 -21.81 66.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.943 0.402 . . . . 0.0 111.641 -176.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -75.1 -13.02 60.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.941 0.401 . . . . 0.0 110.999 176.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.4 m -123.53 -165.57 1.35 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.073 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -80.11 -175.66 5.14 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 172.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -119.25 53.82 2.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -179.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.95 -55.09 0.22 Allowed 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 121.361 1.374 . . . . 0.0 112.833 -171.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -70.04 -35.02 73.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.678 0.275 . . . . 0.0 110.672 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.601 ' HG ' HG22 ' A' ' 74' ' ' VAL . 6.6 tt -62.81 -49.94 72.95 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 178.157 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -61.17 -38.03 85.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.388 0.613 . . . . 0.0 110.156 178.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.764 ' HB1' ' HA3' ' A' ' 63' ' ' GLY . . . -60.83 -44.79 96.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.054 -177.379 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.421 ' HE1' ' N ' ' A' ' 65' ' ' CYS . 14.6 m95 -72.43 -28.84 63.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.557 0.218 . . . . 0.0 111.203 -178.436 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 55' ' ' LEU . 93.0 t -66.76 -43.67 89.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.973 0.416 . . . . 0.0 110.3 174.66 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 95.3 mmm -77.98 -19.18 54.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.116 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.24 29.04 34.74 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.186 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -145.72 87.79 1.8 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 -179.201 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.764 ' HA3' ' HB1' ' A' ' 57' ' ' ALA . . . 159.72 168.77 22.16 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 119.918 -1.134 . . . . 0.0 113.339 175.508 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -120.26 137.0 54.47 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.421 ' N ' ' HE1' ' A' ' 58' ' ' TRP . 46.1 t -93.45 150.48 20.42 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 -178.231 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -59.81 -40.9 89.95 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 123.762 0.664 . . . . 0.0 111.167 -177.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -151.0 156.99 42.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.007 177.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 32.3 mt -75.73 -14.26 60.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.511 -176.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.76 -47.01 92.95 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.766 -0.73 . . . . 0.0 111.517 173.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.509 HD23 ' HB3' ' A' ' 43' ' ' ASP . 97.9 mt -67.37 -44.08 79.84 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.069 0.461 . . . . 0.0 110.172 175.635 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.32 -29.61 69.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.536 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.58 ' O ' ' HG2' ' A' ' 76' ' ' LYS . . . -60.08 -41.41 92.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.902 178.567 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.463 ' HE2' ' HA ' ' A' ' 70' ' ' LEU . 60.9 mtm -63.59 -44.79 93.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.156 0.503 . . . . 0.0 109.862 178.528 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.601 HG22 ' HG ' ' A' ' 55' ' ' LEU . 37.0 t -61.66 -41.19 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.605 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -58.15 -40.15 80.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.415 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 57.2 mmtt -67.63 -40.93 84.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.076 0.465 . . . . 0.0 110.234 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 74.1 mt -64.85 -45.56 94.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.206 177.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 74' ' ' VAL . 99.0 t -62.04 -39.41 83.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.736 178.126 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.63 -43.05 97.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.968 0.413 . . . . 0.0 110.816 178.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -71.18 -36.17 71.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.225 0.536 . . . . 0.0 110.148 178.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.436 ' O ' HG23 ' A' ' 85' ' ' VAL . 55.8 t30 -65.65 -33.72 76.55 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.842 178.658 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 31.7 tp -53.67 -38.9 64.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.043 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.0 t -65.6 -36.74 84.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.261 176.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -65.45 -33.64 76.41 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.186 176.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 81' ' ' ASN . 59.3 t -64.61 -36.52 77.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.383 178.071 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -76.63 -48.21 19.8 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.073 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 tt -64.57 -50.71 66.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.182 0.515 . . . . 0.0 109.899 -179.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -95.32 88.22 5.06 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.625 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -56.87 109.82 0.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.394 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -114.51 -46.94 2.93 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.914 177.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 13.2 p-80 -156.24 -2.68 0.12 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.523 -177.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -143.21 155.59 44.56 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.432 -0.21 . . . . 0.0 110.432 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -154.77 -174.99 5.2 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 175.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 66.5 t60 . . . . . 0 C--O 1.245 0.847 0 CA-C-O 118.548 -0.739 . . . . 0.0 110.116 -178.319 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.638 0.256 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.564 ' HB2' ' HE1' ' A' ' 33' ' ' PHE . 86.1 m-85 -122.41 145.46 48.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.895 0.379 . . . . 0.0 110.827 -178.125 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.423 ' H ' ' HB2' ' A' ' 6' ' ' GLN . 1.3 p -138.12 -170.67 2.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.863 -178.057 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.67 -45.63 93.42 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -174.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -66.91 -36.71 82.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.153 0.502 . . . . 0.0 110.203 -178.263 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.481 ' O ' HG13 ' A' ' 10' ' ' ILE . 17.8 mm-40 -59.25 -38.28 79.65 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.819 175.665 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -57.48 -38.1 73.98 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.904 0.383 . . . . 0.0 110.698 178.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.69 -42.79 85.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.317 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.433 ' HD2' ' OE1' ' A' ' 6' ' ' GLN . 75.0 mtt180 -64.51 -36.79 85.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.39 178.516 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 6' ' ' GLN . 88.0 mt -64.46 -43.29 96.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.3 176.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -60.28 -35.23 75.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.692 177.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -64.53 -23.93 67.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.796 0.331 . . . . 0.0 111.4 176.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.32 12.24 18.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.478 -179.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.4 p -67.29 -26.34 66.49 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 176.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 71.51 108.08 0.06 Allowed 'General case' 0 CA--C 1.528 0.129 0 O-C-N 124.185 0.928 . . . . 0.0 110.645 177.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.46 ' HD3' ' H ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -59.72 132.77 54.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.464 -177.363 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 168.31 -44.41 0.23 Allowed Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.986 -0.626 . . . . 0.0 111.711 -177.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.521 ' HE2' ' HB2' ' A' ' 20' ' ' GLU . 24.5 ptm -153.56 138.49 17.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.796 0.331 . . . . 0.0 110.132 175.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.3 mt -81.56 -23.0 37.46 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.347 -175.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.521 ' HB2' ' HE2' ' A' ' 18' ' ' MET . 5.9 mm-40 -62.08 -20.85 64.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.331 -177.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 28.1 mt -81.7 -40.32 22.95 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.914 177.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -61.72 -42.26 98.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.945 0.402 . . . . 0.0 110.924 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.0 m -72.4 -10.78 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -175.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.0 m -106.37 -14.91 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.484 -0.486 . . . . 0.0 111.339 177.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 73.6 mt -94.26 -57.29 4.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.511 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.654 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 27.3 ttt -61.55 -53.06 65.14 Favored Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -173.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.654 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 48.6 Cg_exo -58.62 -30.28 91.64 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 121.978 1.785 . . . . 0.0 112.169 177.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 76' ' ' LYS . 92.6 t80 -69.2 -45.25 70.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.101 178.431 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.408 ' O ' ' HB2' ' A' ' 33' ' ' PHE . 69.9 t80 -60.83 -39.71 90.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.468 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.3 -41.17 79.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.962 0.411 . . . . 0.0 111.587 179.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -83.22 -47.14 11.87 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.733 -178.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.5 t -81.31 -17.39 49.43 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.216 -169.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.564 ' HE1' ' HB2' ' A' ' 2' ' ' TYR . 67.7 t80 -48.94 -39.09 24.96 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 122.658 0.383 . . . . 0.0 111.941 -177.487 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -69.2 -23.71 63.94 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.785 0.326 . . . . 0.0 111.625 -178.082 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.5 m -101.72 -23.86 14.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.733 0.302 . . . . 0.0 111.535 -176.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.442 ' HB3' ' HG3' ' A' ' 41' ' ' GLN . 91.7 mt -72.13 136.06 46.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.959 0.409 . . . . 0.0 111.171 -178.098 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 61.2 p -84.41 163.96 19.19 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.294 176.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.61 -40.08 74.72 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.452 176.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.8 m -58.21 -51.93 67.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.086 178.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -61.9 -48.08 82.08 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.622 0.725 . . . . 0.0 110.119 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.557 ' HB3' ' CE2' ' A' ' 2' ' ' TYR . 69.0 mt-30 -61.05 -35.14 76.15 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.762 -1.108 . . . . 0.0 112.499 -175.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -75.11 -46.34 35.16 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.824 0.345 . . . . 0.0 110.975 -178.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -69.31 -33.58 73.37 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.289 -177.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.445 ' HD1' ' HB3' ' A' ' 73' ' ' MET . 70.0 t80 -61.56 -50.25 73.38 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.803 177.533 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.7 t -70.01 -38.6 75.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.759 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.68 -32.11 68.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.567 178.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.494 HD13 HD13 ' A' ' 70' ' ' LEU . 59.5 tp -64.94 -39.63 93.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.286 -179.66 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.0 mt -69.25 -17.99 63.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.198 -173.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -68.27 -40.34 81.87 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -176.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.5 m -124.29 113.31 18.07 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.398 -179.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 t70 51.21 -160.3 0.09 Allowed 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.582 176.111 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.51 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 9.4 p-10 -155.64 52.58 0.7 Allowed Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.121 176.426 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.51 ' HD3' ' N ' ' A' ' 52' ' ' ASP . 3.5 Cg_exo -75.02 -48.68 0.16 Allowed 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.307 2.005 . . . . 0.0 112.53 -171.118 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -66.62 -34.43 77.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.194 0.521 . . . . 0.0 110.053 178.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.3 tt -71.5 -51.75 21.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.069 -178.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -56.81 -39.12 73.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.051 178.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.23 -52.05 66.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.32 -176.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.541 ' HB2' HG11 ' A' ' 74' ' ' VAL . 18.2 m95 -77.9 -31.09 50.99 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.585 -174.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 77.9 t -68.86 -45.58 80.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 110.91 177.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.2 mmt -82.6 -13.54 56.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.897 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.3 47.27 90.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.832 178.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -144.03 28.46 1.39 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.439 0.161 . . . . 0.0 111.1 -175.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -168.6 -165.65 26.35 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 119.715 -1.231 . . . . 0.0 113.548 -177.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -141.8 158.96 43.16 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 -178.108 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.58 ' SG ' ' HB2' ' A' ' 71' ' ' ALA . 28.4 p -105.61 166.18 10.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.663 0.268 . . . . 0.0 110.401 -179.463 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -78.48 -47.6 17.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.939 176.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -126.65 149.72 49.36 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 178.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.4 ' HA ' ' HB3' ' A' ' 71' ' ' ALA . 16.0 mt -77.4 -14.97 59.59 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -178.087 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.34 -47.76 89.5 Favored Glycine 0 CA--C 1.516 0.13 0 C-N-CA 120.537 -0.84 . . . . 0.0 111.473 176.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.494 HD13 HD13 ' A' ' 47' ' ' LEU . 40.1 mt -66.62 -35.0 79.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.957 0.408 . . . . 0.0 110.243 173.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.58 ' HB2' ' SG ' ' A' ' 65' ' ' CYS . . . -62.61 -38.04 88.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.028 179.071 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.18 -35.22 79.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.897 0.379 . . . . 0.0 110.615 177.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.483 ' HA ' ' CE ' ' A' ' 73' ' ' MET . 19.5 mmt -71.24 -46.74 60.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.43 177.404 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.541 HG11 ' HB2' ' A' ' 58' ' ' TRP . 61.2 t -64.04 -37.98 81.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.853 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -54.95 -45.94 74.95 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.072 177.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 96.2 mttt -65.62 -34.42 78.19 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.625 178.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 73' ' ' MET . 71.9 mt -64.94 -47.56 87.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.18 175.089 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 74' ' ' VAL . 99.1 t -59.02 -46.42 91.71 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.838 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.59 -41.16 80.63 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.218 0.532 . . . . 0.0 110.732 178.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -69.55 -38.46 77.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.523 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.443 ' O ' HG23 ' A' ' 85' ' ' VAL . 63.7 t30 -69.47 -45.93 67.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 179.335 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 69.1 mt -56.51 -30.68 63.3 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 121.0 0.429 . . . . 0.0 110.776 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.667 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 49.5 m -65.4 -49.43 69.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.402 178.638 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.463 ' HA ' HD12 ' A' ' 87' ' ' LEU . 17.4 ptmt -69.38 -22.92 63.68 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.521 -0.471 . . . . 0.0 110.861 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 81' ' ' ASN . 84.2 t -76.74 -42.55 33.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.805 0.336 . . . . 0.0 110.495 176.59 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.533 ' HG2' ' O ' ' A' ' 83' ' ' SER . 38.7 ptt180 -72.24 -15.0 61.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.967 -178.733 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.667 ' HG ' ' O ' ' A' ' 83' ' ' SER . 52.4 mt -64.49 -39.69 94.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.408 176.524 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 62.87 135.18 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -176.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 60.41 -145.78 0.48 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.043 -177.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 33.2 t60 68.28 17.65 9.27 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 122.886 0.474 . . . . 0.0 110.936 176.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 60.95 21.86 12.1 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.029 173.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 62.97 16.14 8.98 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 176.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 80.4 t60 61.51 60.79 1.6 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.989 0.9 . . . . 0.0 109.869 -174.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.4 m170 . . . . . 0 C--O 1.244 0.801 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.679 177.868 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.535 0.207 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.524 ' OH ' HD11 ' A' ' 10' ' ' ILE . 0.5 OUTLIER 69.83 159.78 0.19 Allowed 'General case' 0 C--O 1.234 0.245 0 O-C-N 124.146 0.904 . . . . 0.0 112.259 174.653 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.1 p -136.95 155.27 49.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.486 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.9 -26.59 68.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.334 0.588 . . . . 0.0 109.832 173.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -61.34 -44.93 96.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.625 176.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.573 ' OE1' ' HD2' ' A' ' 9' ' ' ARG . 6.5 tp-100 -65.63 -37.72 87.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.498 177.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -59.99 -34.39 73.26 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.285 178.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.86 -36.87 85.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.045 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.573 ' HD2' ' OE1' ' A' ' 6' ' ' GLN . 80.2 mtt180 -63.58 -36.95 85.49 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.078 0.466 . . . . 0.0 110.111 178.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.524 HD11 ' OH ' ' A' ' 2' ' ' TYR . 62.8 mt -64.67 -44.66 96.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.305 177.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -55.67 -40.71 72.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.31 -178.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.0 m95 -72.7 -30.24 64.05 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.65 -34.8 24.96 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -171.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.0 p -66.76 -24.28 66.19 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.033 0.444 . . . . 0.0 111.232 -177.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.437 HH21 ' CG ' ' A' ' 22' ' ' ASP . 2.0 mmp_? -66.51 92.09 0.2 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.692 -178.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -103.65 -174.31 2.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.85 173.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.6 -4.86 90.18 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.163 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 22.7 ptp -118.9 132.9 56.11 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 176.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.2 mt -74.27 -24.93 59.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.736 -173.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -55.98 -41.64 75.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.759 -176.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.5 mt -73.8 -46.2 46.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.893 0.377 . . . . 0.0 110.729 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.437 ' CG ' HH21 ' A' ' 15' ' ' ARG . 22.8 t70 -61.66 -39.42 91.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.083 -177.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.6 p -74.4 -20.25 17.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.833 -176.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.6 m -99.93 10.34 7.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 121.057 0.455 . . . . 0.0 110.586 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 84.6 mt -120.46 -49.07 3.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.961 176.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.732 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 35.5 ttm -53.46 -56.01 29.01 Favored Pre-proline 0 CA--C 1.539 0.531 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -173.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.732 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 94.2 Cg_endo -89.79 -21.25 1.07 Allowed 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 121.868 1.712 . . . . 0.0 112.648 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.63 ' CE2' HG12 ' A' ' 77' ' ' ILE . 82.4 t80 -69.78 -37.02 76.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.769 -178.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -58.4 -34.89 71.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.599 177.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.423 ' OE2' ' HA ' ' A' ' 27' ' ' PRO . 31.0 mt-10 -57.7 -38.66 75.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.33 0.586 . . . . 0.0 110.443 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -85.01 -48.11 9.56 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.568 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 10.8 t -71.86 -22.6 61.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.812 -171.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -54.73 -35.65 63.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.131 0.491 . . . . 0.0 110.912 178.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -64.88 -27.83 69.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.009 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.8 t -102.25 -5.37 24.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.98 -176.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 73.3 mt -103.41 126.76 50.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.975 0.417 . . . . 0.0 111.566 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.401 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 22.3 p -90.02 164.83 14.36 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.164 175.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -56.53 -43.02 79.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.658 0.266 . . . . 0.0 111.038 -177.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.4 t -57.56 -42.02 82.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.055 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -70.79 -40.92 72.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.573 0.701 . . . . 0.0 109.887 177.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.464 ' O ' HG23 ' A' ' 45' ' ' VAL . 35.1 mt-30 -65.27 -35.49 81.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.82 -177.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.07 -46.7 89.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.019 0.437 . . . . 0.0 111.047 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -69.57 -32.1 70.67 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.823 -178.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.558 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 83.6 t80 -66.65 -49.34 66.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.726 176.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 41' ' ' GLN . 90.1 t -65.27 -36.7 78.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 110.745 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.97 -38.87 80.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.061 0.457 . . . . 0.0 110.918 176.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 22.8 tp -67.42 -38.54 84.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.665 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 44' ' ' PHE . 96.6 mt -60.48 -23.19 64.29 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -169.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -73.24 -14.78 61.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.001 0.429 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.8 m -116.55 -160.91 0.78 Allowed 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 176.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.465 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 33.1 m-20 -108.82 177.2 4.84 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 174.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.808 ' HB2' ' HB2' ' A' ' 55' ' ' LEU . 0.5 OUTLIER -123.49 63.79 27.19 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.592 -178.103 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.465 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 24.3 Cg_exo -62.73 -52.99 1.92 Allowed 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.321 2.014 . . . . 0.0 112.274 -177.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.408 ' O ' ' HD1' ' A' ' 58' ' ' TRP . 55.2 m-20 -69.3 -34.09 74.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.208 0.528 . . . . 0.0 110.146 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.808 ' HB2' ' HB2' ' A' ' 52' ' ' ASP . 67.4 mt -70.94 -38.33 72.86 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.17 -178.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -57.36 -37.15 72.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.481 0.657 . . . . 0.0 109.915 174.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.47 -26.53 64.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.298 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.408 ' HD1' ' O ' ' A' ' 54' ' ' ASP . 12.9 m95 -67.16 -35.99 80.87 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.904 0.383 . . . . 0.0 110.204 174.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 43.1 t -66.91 -31.48 53.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.446 177.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 92.4 mmm -89.06 -11.3 44.48 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.959 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.05 46.43 6.64 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.772 177.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -168.4 47.72 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -120.63 -179.65 16.28 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.338 -0.934 . . . . 0.0 113.472 -175.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -140.0 122.47 16.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.092 0.473 . . . . 0.0 110.657 178.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 49.0 t -142.66 108.51 5.15 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -79.94 -33.74 39.42 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.747 -173.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.4 HD21 HD12 ' A' ' 70' ' ' LEU . 13.1 p-10 -86.85 96.75 10.32 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.647 0.737 . . . . 0.0 109.306 178.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.1 mt -67.33 -6.81 20.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.123 -174.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.45 -41.54 99.56 Favored Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 170.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.48 ' O ' ' HG3' ' A' ' 73' ' ' MET . 13.6 mt -71.67 -48.77 45.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.075 0.464 . . . . 0.0 110.465 174.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.74 -27.43 67.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.509 -178.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.3 -50.54 73.59 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.103 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.579 ' O ' HG13 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -72.12 -29.36 64.0 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.35 -178.042 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.652 HG21 HD22 ' A' ' 55' ' ' LEU . 96.5 t -63.85 -45.82 96.01 Favored 'Isoleucine or valine' 0 C--O 1.231 0.105 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 175.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -57.18 -41.68 79.77 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.49 177.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -65.85 -33.99 77.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.739 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.63 HG12 ' CE2' ' A' ' 28' ' ' PHE . 73.4 mt -69.09 -48.14 71.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.918 0.389 . . . . 0.0 110.371 174.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.553 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 95.2 t -58.95 -39.35 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.493 -177.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.63 -38.72 72.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.344 . . . . 0.0 111.31 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -72.6 -35.65 67.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.606 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -68.85 -35.69 77.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.172 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 81.3 mt -55.51 -33.73 64.0 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -178.034 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.687 ' HA ' ' HG2' ' A' ' 86' ' ' ARG . 62.5 p -73.67 -31.1 63.29 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.752 -179.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -65.83 -42.72 90.23 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 173.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.94 -43.16 92.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.938 -177.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.687 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 14.9 ptm180 -72.99 -24.88 60.82 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.188 -179.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.691 HD22 ' HG3' ' A' ' 88' ' ' GLU . 1.0 OUTLIER -77.01 -75.59 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.752 -178.71 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.691 ' HG3' HD22 ' A' ' 87' ' ' LEU . 42.6 mt-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.243 -176.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -137.24 119.26 15.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.998 0.428 . . . . 0.0 110.924 -176.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.6 p -99.15 -172.31 2.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.851 176.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.29 -30.69 70.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.067 0.461 . . . . 0.0 110.524 175.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -71.8 -41.18 68.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.392 178.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.556 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 17.6 mm-40 -69.64 -32.96 71.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.145 176.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -66.42 -34.03 77.05 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.832 177.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.588 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . . . -64.71 -40.53 95.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.913 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 6' ' ' GLN . 16.6 ptm180 -69.64 -28.97 66.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.083 0.468 . . . . 0.0 110.182 179.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 78.0 mt -74.19 -48.63 36.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.781 176.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.588 ' HG2' ' HA ' ' A' ' 8' ' ' ALA . 22.3 ptmt -62.3 -36.21 81.42 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.286 -178.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 16.7 m95 -72.3 -21.74 61.3 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.205 -0.309 . . . . 0.0 111.703 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.39 -49.4 11.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.706 0.288 . . . . 0.0 111.099 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.7 p -73.67 -46.42 46.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.922 0.391 . . . . 0.0 111.115 -178.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.473 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 28.0 ttm180 -81.58 169.0 17.6 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.473 ' HB2' ' O ' ' A' ' 15' ' ' ARG . 8.7 mpt_? 72.29 -56.61 0.64 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 122.893 0.477 . . . . 0.0 109.874 -172.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.97 -57.7 6.14 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 121.075 -0.583 . . . . 0.0 111.866 176.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.562 ' HB3' ' HB2' ' A' ' 21' ' ' LEU . 25.3 mmt -115.51 97.96 6.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.762 0.315 . . . . 0.0 110.976 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 72.1 mt -81.19 -25.89 36.41 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.979 0.419 . . . . 0.0 110.644 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -81.03 -31.8 34.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.981 178.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.562 ' HB2' ' HB3' ' A' ' 18' ' ' MET . 90.4 mt -94.49 -8.92 37.02 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -173.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -56.54 -38.37 71.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.295 0.569 . . . . 0.0 110.47 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.3 t -61.19 -28.06 43.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.695 -177.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.439 ' HA ' ' CD1' ' A' ' 28' ' ' PHE . 34.8 m -105.19 6.79 10.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.42 -177.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 82.8 mt -112.47 -65.2 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.546 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 64.6 mtp -58.95 -54.4 56.81 Favored Pre-proline 0 N--CA 1.466 0.368 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -172.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -68.36 -34.85 19.87 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 121.424 1.416 . . . . 0.0 112.33 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.598 ' HZ ' ' HD3' ' A' ' 84' ' ' LYS . 48.0 m-85 -69.46 -36.93 77.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.204 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -61.76 -41.4 97.64 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 177.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.546 ' HG3' ' O ' ' A' ' 26' ' ' MET . 32.5 mt-10 -61.56 -35.32 77.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.63 0.729 . . . . 0.0 110.426 178.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -72.33 -51.52 20.31 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.027 177.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.508 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 85.6 m -74.79 -24.21 58.62 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -175.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -52.28 -37.32 55.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.113 0.482 . . . . 0.0 111.094 177.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -70.48 -31.68 68.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.213 177.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.1 t -99.48 5.82 46.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.269 -173.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 92.5 mt -117.29 154.48 31.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.875 0.369 . . . . 0.0 110.929 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.413 ' C ' HE21 ' A' ' 41' ' ' GLN . 25.1 p -96.36 170.49 9.2 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 172.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -56.08 -41.23 74.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.834 0.35 . . . . 0.0 110.828 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.9 m -54.83 -49.15 71.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.393 178.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.8 -39.1 90.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.628 0.728 . . . . 0.0 110.112 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.444 ' O ' HG23 ' A' ' 45' ' ' VAL . 37.6 mt-30 -62.29 -39.59 93.47 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.577 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -62.47 -41.08 98.53 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.467 0.651 . . . . 0.0 110.734 177.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -64.55 -42.99 95.34 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.637 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -65.25 -45.98 82.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.295 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 41' ' ' GLN . 73.0 t -61.3 -36.95 76.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 110.865 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.52 -39.7 84.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.221 175.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.48 HD13 HD12 ' A' ' 55' ' ' LEU . 10.6 mt -63.75 -35.58 81.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.873 178.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 98.5 mt -56.7 -35.81 68.92 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -177.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -86.54 -12.42 48.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.986 0.422 . . . . 0.0 111.435 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.0 m -87.79 -170.31 2.95 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.871 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.535 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 11.6 m-20 -91.25 169.79 10.53 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.247 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.559 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 15.2 p-10 -125.81 50.72 4.83 Favored Pre-proline 0 CA--C 1.539 0.546 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -174.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.559 ' HD3' ' N ' ' A' ' 52' ' ' ASP . 0.9 OUTLIER -84.68 -55.91 0.03 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.735 0 C-N-CA 121.673 1.582 . . . . 0.0 111.812 -179.026 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.491 ' O ' ' HD1' ' A' ' 58' ' ' TRP . 12.6 p-10 -70.5 -33.24 70.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.024 176.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.48 HD12 HD13 ' A' ' 47' ' ' LEU . 6.3 tt -58.89 -49.37 78.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.762 177.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -58.33 -39.91 80.71 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.511 178.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.28 -37.36 83.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.903 -176.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.491 ' HD1' ' O ' ' A' ' 54' ' ' ASP . 22.7 m95 -67.06 -41.56 86.23 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 120.726 0.298 . . . . 0.0 111.266 -179.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.525 ' HA ' HG22 ' A' ' 78' ' ' VAL . 48.6 t -65.67 -32.31 57.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.588 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 25.7 ttt -82.19 -21.62 36.36 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.191 -179.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.44 22.29 10.6 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.9 -0.667 . . . . 0.0 113.674 174.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 26.1 m80 -143.07 43.28 1.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 122.372 -0.487 . . . . 0.0 110.401 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.543 ' C ' ' HD2' ' A' ' 64' ' ' ARG . . . -119.05 146.85 18.39 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.027 -1.082 . . . . 0.0 113.782 -172.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.543 ' HD2' ' C ' ' A' ' 63' ' ' GLY . 4.8 mpt_? -126.52 144.02 51.01 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 170.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.406 ' HB2' ' NE1' ' A' ' 58' ' ' TRP . 15.3 t -129.41 160.82 31.92 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.218 -171.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -60.23 -49.75 76.36 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.896 177.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -127.05 133.9 50.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.398 -175.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 24.7 mt -75.84 -18.31 59.51 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -177.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.03 -41.29 97.91 Favored Glycine 0 N--CA 1.453 -0.195 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 173.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.452 HD22 HD11 ' A' ' 47' ' ' LEU . 16.8 mt -58.12 -49.35 77.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.446 0.641 . . . . 0.0 110.069 172.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.07 -26.49 68.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.743 -177.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.15 -51.99 66.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.728 0.299 . . . . 0.0 111.575 -178.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.423 ' HE1' HD12 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -73.62 -28.81 62.0 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.151 -178.744 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.479 ' O ' HG23 ' A' ' 78' ' ' VAL . 88.7 t -68.71 -37.42 77.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.104 0.478 . . . . 0.0 110.197 174.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -60.04 -37.88 81.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.979 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -65.06 -34.85 79.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.409 177.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 68.7 mt -67.98 -46.34 82.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.054 175.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.525 HG22 ' HA ' ' A' ' 59' ' ' VAL . 57.5 t -58.61 -46.52 90.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.83 179.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.93 -40.52 84.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.056 0.455 . . . . 0.0 111.257 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -67.91 -38.2 82.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.796 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.496 ' O ' HG23 ' A' ' 85' ' ' VAL . 64.2 t30 -69.86 -44.06 70.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.749 179.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.5 mt -56.75 -34.78 67.89 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 120.909 0.385 . . . . 0.0 111.284 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.623 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 23.7 m -66.65 -48.42 69.45 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.965 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.598 ' HD3' ' HZ ' ' A' ' 28' ' ' PHE . 12.2 ptmm? -69.16 -23.34 63.93 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.855 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 81' ' ' ASN . 72.5 t -75.99 -42.74 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.849 0.357 . . . . 0.0 110.271 176.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' ' 83' ' ' SER . 7.0 ptm180 -71.24 -20.92 62.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 -177.242 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 83' ' ' SER . 76.3 mt -61.5 -44.08 97.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.958 176.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 . . . . . 0 N--CA 1.47 0.566 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 178.548 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.404 ' HB2' ' HB2' ' A' ' 6' ' ' GLN . 33.7 p90 -143.27 143.27 31.65 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.908 0.385 . . . . 0.0 111.461 -174.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.8 p -101.72 -176.49 3.15 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.648 174.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.23 -30.09 69.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.04 0.447 . . . . 0.0 110.447 176.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -64.06 -47.54 79.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.549 178.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.404 ' HB2' ' HB2' ' A' ' 2' ' ' TYR . 17.1 mt-30 -69.66 -35.78 75.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.566 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -61.02 -33.31 73.07 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.363 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.54 -41.79 86.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.911 0.386 . . . . 0.0 110.33 176.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -67.12 -36.43 81.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.079 0.466 . . . . 0.0 110.22 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.9 mt -64.34 -43.78 97.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.431 177.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -57.93 -38.37 75.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.953 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -72.08 -27.45 62.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.009 177.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.406 ' O ' ' HD3' ' A' ' 16' ' ' ARG . . . -77.41 -10.48 59.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.41 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.483 ' HB3' ' HB2' ' A' ' 22' ' ' ASP . 80.6 m -70.19 -28.19 65.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.144 0.497 . . . . 0.0 110.605 175.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 -84.3 83.67 7.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.613 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.406 ' HD3' ' O ' ' A' ' 13' ' ' ALA . 1.4 mpt_? -113.12 -80.82 0.59 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.929 174.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -129.57 -11.59 2.67 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.286 -0.959 . . . . 0.0 112.622 175.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.414 ' CG ' ' HG ' ' A' ' 21' ' ' LEU . 11.8 tpt -138.98 99.17 3.7 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.768 -0.254 . . . . 0.0 111.142 -175.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 72.7 mt -63.92 -29.53 70.69 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.002 0.43 . . . . 0.0 111.213 179.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -63.05 -19.26 64.22 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.489 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.52 ' O ' HG12 ' A' ' 25' ' ' ILE . 78.2 mt -72.85 -29.57 63.32 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-N 116.748 -0.205 . . . . 0.0 111.185 177.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.483 ' HB2' ' HB3' ' A' ' 14' ' ' CYS . 4.2 t70 -50.77 -38.72 49.62 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.088 0.471 . . . . 0.0 111.592 -177.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 38.5 t -71.02 -34.85 56.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.748 -177.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.413 ' HA ' ' CE1' ' A' ' 28' ' ' PHE . 35.2 m -102.51 2.37 10.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -173.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.52 HG12 ' O ' ' A' ' 21' ' ' LEU . 44.1 mm -105.28 -59.03 3.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.521 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.61 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 12.2 tmm? -61.32 -54.19 55.41 Favored Pre-proline 0 CA--C 1.54 0.573 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -171.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.61 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 22.5 Cg_exo -65.62 -33.15 46.31 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 121.793 1.662 . . . . 0.0 112.112 -177.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.413 ' CE1' ' HA ' ' A' ' 24' ' ' VAL . 1.5 m-85 -69.15 -36.09 77.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.081 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.549 ' HZ ' ' NE2' ' A' ' 41' ' ' GLN . 27.9 t80 -64.49 -37.32 87.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.963 177.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -58.47 -36.7 74.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.495 0.664 . . . . 0.0 110.462 178.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -76.02 -51.36 12.48 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.034 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.436 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 62.2 m -63.82 -30.99 72.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.779 0.323 . . . . 0.0 111.62 -177.124 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -54.6 -34.24 61.7 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 123.174 0.589 . . . . 0.0 111.439 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -55.93 -39.74 72.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.96 0.41 . . . . 0.0 111.007 177.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.1 m -95.5 -1.1 51.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.048 0.451 . . . . 0.0 111.233 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 96.5 mt -99.02 143.26 29.5 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.101 0.477 . . . . 0.0 110.763 176.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.3 p -86.89 169.81 12.19 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.181 175.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -55.57 -38.47 69.39 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.875 0.369 . . . . 0.0 111.261 177.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.5 m -58.33 -47.2 84.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.781 177.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -70.9 -34.29 71.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.395 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.549 ' NE2' ' HZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -57.96 -41.29 82.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.268 175.143 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -65.51 -45.29 84.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.708 177.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -58.71 -41.02 85.33 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.509 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.568 ' HD2' ' HB3' ' A' ' 73' ' ' MET . 31.4 t80 -67.73 -44.9 76.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.945 -178.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 41' ' ' GLN . 97.6 t -60.81 -42.86 93.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.773 0.32 . . . . 0.0 110.45 178.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.96 -36.09 69.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.203 177.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.23 -45.01 93.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.991 178.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.6 mt -70.14 -25.78 63.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.225 -178.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -74.09 -14.18 60.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.046 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.4 t -96.03 -168.26 1.72 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 176.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.584 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 8.7 t70 -93.25 -178.59 4.81 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 179.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.537 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 23.9 p30 -122.43 50.29 2.6 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -176.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.584 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 1.1 Cg_endo -83.89 -56.72 0.03 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 121.76 1.64 . . . . 0.0 111.71 -179.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.475 ' O ' ' HD1' ' A' ' 58' ' ' TRP . 37.3 t70 -69.96 -36.42 75.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.177 177.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.0 tt -58.68 -45.37 89.58 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.072 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -57.83 -33.95 69.18 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 121.13 0.491 . . . . 0.0 110.327 177.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.78 -29.04 61.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.783 -178.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.601 ' HZ2' ' H ' ' A' ' 65' ' ' CYS . 31.8 m95 -70.0 -35.27 74.25 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.698 177.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 51.2 t -68.34 -29.63 44.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.407 178.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 67.5 mtm -85.85 -14.64 44.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.497 175.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.36 44.4 5.9 Favored Glycine 0 N--CA 1.45 -0.369 0 CA-C-N 115.904 -0.589 . . . . 0.0 113.195 175.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -158.91 32.49 0.21 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.997 0.398 . . . . 0.0 110.625 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.415 ' HA3' ' CD1' ' A' ' 58' ' ' TRP . . . -98.8 173.2 26.62 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.202 -179.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -155.02 93.9 1.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.304 0.573 . . . . 0.0 110.96 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.601 ' H ' ' HZ2' ' A' ' 58' ' ' TRP . 86.5 m -75.44 163.2 27.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.836 179.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -59.17 -46.21 89.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.123 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -134.92 154.94 51.49 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.183 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.3 mt -75.15 -17.23 60.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.37 -176.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.69 -46.97 88.51 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.013 174.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 89.2 mt -71.27 -31.69 67.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.065 0.459 . . . . 0.0 110.507 176.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.91 -30.93 69.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.221 -178.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.481 ' O ' ' HG3' ' A' ' 76' ' ' LYS . . . -61.15 -30.35 70.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.968 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.568 ' HB3' ' HD2' ' A' ' 44' ' ' PHE . 17.6 mmt -65.4 -47.29 76.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.743 178.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.42 ' O ' HG23 ' A' ' 78' ' ' VAL . 38.9 t -66.22 -37.94 80.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.133 177.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -54.39 -47.23 72.94 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.251 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 72' ' ' ALA . 88.3 mttt -67.34 -34.41 77.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.146 -178.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 82.6 mt -66.78 -48.42 79.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.083 175.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 74' ' ' VAL . 96.9 t -62.39 -36.8 76.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.935 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.61 -41.86 86.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.044 0.449 . . . . 0.0 110.889 177.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -71.73 -44.72 63.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.569 177.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.451 ' O ' HG23 ' A' ' 85' ' ' VAL . 57.9 t30 -64.54 -36.66 84.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.22 -177.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.1 tp -54.66 -38.79 67.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.131 0.491 . . . . 0.0 111.028 -178.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.593 ' HA ' ' HG2' ' A' ' 86' ' ' ARG . 10.5 t -67.9 -36.99 81.18 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.478 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -70.5 -31.29 68.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.111 0.482 . . . . 0.0 110.37 175.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 81' ' ' ASN . 75.4 t -68.79 -36.2 73.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.725 178.015 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.593 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 15.9 ptm180 -81.25 -30.2 34.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.365 177.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.2 tt -59.06 -52.82 64.12 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 174.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.023 173.695 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.6 ttm . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.462 0.172 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -62.44 118.72 7.9 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 178.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.519 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 30.2 p -71.72 167.27 20.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.182 0.515 . . . . 0.0 112.118 -173.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.23 96.33 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.321 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -62.38 -40.01 95.05 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.242 0.544 . . . . 0.0 109.661 178.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -69.62 -31.56 69.75 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.857 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.519 ' HG3' ' O ' ' A' ' 3' ' ' THR . 60.2 mttp -61.97 -34.07 75.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.728 0.299 . . . . 0.0 110.968 176.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.27 -36.22 82.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.099 0.476 . . . . 0.0 110.545 177.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -67.31 -31.8 72.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.555 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 72.6 mt -64.76 -43.67 96.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.008 174.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.53 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 99.6 mttt -57.4 -41.64 80.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.586 176.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.7 m95 -63.85 -27.16 68.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.315 178.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.554 ' HB1' ' HB3' ' A' ' 48' ' ' LEU . . . -73.92 -36.85 64.73 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.868 0.366 . . . . 0.0 110.579 177.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 81.9 m -65.1 -25.79 67.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.289 0.566 . . . . 0.0 110.437 176.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.53 ' HG2' ' O ' ' A' ' 11' ' ' LYS . 15.3 mmt180 -75.83 -1.51 25.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.879 178.128 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.433 ' NE ' ' HA ' ' A' ' 16' ' ' ARG . 2.2 mmp_? -98.32 101.44 12.9 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 122.083 -0.386 . . . . 0.0 111.443 -174.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.14 -48.23 2.4 Favored Glycine 0 CA--C 1.52 0.349 0 CA-C-N 115.916 -0.584 . . . . 0.0 114.148 172.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.601 ' HB2' ' HB2' ' A' ' 21' ' ' LEU . 21.0 ptp -79.96 50.26 1.18 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.071 0.462 . . . . 0.0 111.465 -175.329 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.1 mt -53.84 -41.41 67.4 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -175.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -77.8 -20.81 52.61 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.357 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.601 ' HB2' ' HB2' ' A' ' 18' ' ' MET . 95.3 mt -86.25 -25.18 25.69 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.647 0.261 . . . . 0.0 110.348 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -52.58 -45.75 66.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.074 177.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.0 t -69.47 -28.4 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.234 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.541 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 60.9 t -85.99 -46.29 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.32 -176.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 80.5 mt -69.71 -33.86 58.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.671 -176.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.72 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 44.1 ttm -51.5 -53.97 44.16 Favored Pre-proline 0 CA--C 1.543 0.69 0 N-CA-C 113.067 0.765 . . . . 0.0 113.067 -175.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.72 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 12.7 Cg_exo -72.14 -29.68 14.22 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 121.935 1.757 . . . . 0.0 112.801 178.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.0 m-30 -68.24 -43.37 78.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.994 0.426 . . . . 0.0 110.08 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -56.57 -40.62 75.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.956 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -60.86 -41.95 96.92 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.914 0.388 . . . . 0.0 111.706 -176.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -85.62 -35.82 20.74 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.359 -0.382 . . . . 0.0 112.0 -178.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.478 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 73.7 m -80.58 -22.27 40.86 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -176.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.545 ' HA ' HD12 ' A' ' 36' ' ' LEU . 84.7 t80 -55.38 -35.09 64.91 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 -178.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -57.15 -36.58 70.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.028 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.3 m -96.73 -5.35 38.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.966 0.412 . . . . 0.0 110.987 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' A' ' 33' ' ' PHE . 71.6 mt -77.16 104.09 7.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.221 176.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.579 ' OG1' ' HG2' ' A' ' 40' ' ' GLU . 72.4 p -70.64 172.7 8.19 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 174.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -57.46 -38.06 73.88 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.248 0.547 . . . . 0.0 109.777 177.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.6 m -64.38 -48.72 74.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.605 177.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.579 ' HG2' ' OG1' ' A' ' 37' ' ' THR . 6.2 mm-40 -58.48 -42.98 88.76 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.626 0.727 . . . . 0.0 109.328 177.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.463 HE21 ' CA ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -63.09 -39.69 95.45 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.298 178.309 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -64.2 -46.22 84.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.848 0.356 . . . . 0.0 110.904 -176.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.503 ' HB3' HD23 ' A' ' 70' ' ' LEU . 0.8 OUTLIER -60.04 -41.36 92.11 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.701 178.242 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.549 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 18.9 t80 -67.03 -45.06 78.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.798 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 41' ' ' GLN . 79.4 t -64.39 -40.55 89.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 120.567 0.222 . . . . 0.0 111.201 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.75 -39.44 84.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.356 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.522 ' HB3' ' OD2' ' A' ' 52' ' ' ASP . 9.6 mt -67.86 -49.84 59.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.05 177.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.554 ' HB3' ' HB1' ' A' ' 13' ' ' ALA . 92.7 mt -56.42 -18.65 11.85 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.66 1.355 . . . . 0.0 114.66 -169.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -62.04 -49.78 74.65 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.43 -0.508 . . . . 0.0 111.824 -175.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.3 m -159.9 116.53 2.52 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.795 0.331 . . . . 0.0 111.399 176.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.7 t70 67.42 123.67 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 114.701 -1.136 . . . . 0.0 112.854 173.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.522 ' OD2' ' HB3' ' A' ' 47' ' ' LEU . 3.0 m-20 -118.01 78.13 12.84 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.885 -178.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -74.25 -44.25 0.45 Allowed 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.228 1.952 . . . . 0.0 112.025 -178.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.21 -44.67 92.27 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.263 0.554 . . . . 0.0 109.905 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.452 ' O ' HG23 ' A' ' 59' ' ' VAL . 0.6 OUTLIER -60.72 -49.91 75.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.139 179.774 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -60.28 -39.64 87.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.329 -177.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.98 -43.71 64.7 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -176.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.411 ' HE1' ' HB2' ' A' ' 65' ' ' CYS . 27.0 m95 -70.54 -29.59 66.1 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.53 -176.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 55' ' ' LEU . 78.1 t -69.45 -41.33 80.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 C-N-CA 121.228 -0.189 . . . . 0.0 111.103 178.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 18.3 ptp -77.51 -22.35 51.31 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.834 -178.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.5 30.7 6.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.426 178.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -131.52 42.49 3.18 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 178.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.435 ' O ' ' HB2' ' A' ' 64' ' ' ARG . . . -84.37 -118.43 0.77 Allowed Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 114.969 -1.014 . . . . 0.0 114.321 -169.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 63' ' ' GLY . 55.4 mtt180 70.1 132.87 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.76 0.824 . . . . 0.0 109.755 -164.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.411 ' HB2' ' HE1' ' A' ' 58' ' ' TRP . 52.1 t -155.11 164.51 38.75 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.249 -173.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -77.38 -34.05 55.02 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.556 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.539 ' ND2' ' HG ' ' A' ' 70' ' ' LEU . 19.2 t30 -113.36 112.21 23.28 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.208 -177.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 24.6 mt -75.18 -14.2 60.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.606 -178.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -59.93 -38.85 94.75 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.279 174.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.539 ' HG ' ' ND2' ' A' ' 67' ' ' ASN . 96.1 mt -61.45 -43.38 98.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.239 0.542 . . . . 0.0 110.216 175.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.2 -31.26 69.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.529 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.87 -45.83 85.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.513 -177.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.757 ' HA ' ' HE2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -74.19 -28.51 61.31 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.103 179.837 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 70' ' ' LEU . 90.9 t -69.03 -39.92 80.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.646 0.26 . . . . 0.0 111.06 178.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -59.4 -34.69 72.76 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.982 0.42 . . . . 0.0 110.866 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.757 ' HE2' ' HA ' ' A' ' 73' ' ' MET . 40.5 mttm -62.44 -38.08 88.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.08 177.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 75.5 mt -68.63 -38.79 79.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.073 177.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.527 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 76.1 t -60.08 -42.55 90.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.532 178.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.79 -41.09 77.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.052 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -72.16 -39.87 68.4 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.966 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.527 ' ND2' ' HA ' ' A' ' 78' ' ' VAL . 8.0 p30 -67.32 -33.44 75.27 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.163 -178.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.3 tp -56.77 -38.32 72.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.35 0.595 . . . . 0.0 109.814 173.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.442 ' HA ' ' HG2' ' A' ' 86' ' ' ARG . 33.6 m -70.19 -31.15 68.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.708 177.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -66.51 -35.68 80.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.171 175.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 81' ' ' ASN . 59.3 t -69.24 -37.21 75.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.84 -179.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.442 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 30.0 ptt180 -79.11 -16.7 56.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.248 0.547 . . . . 0.0 110.789 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 52.5 tp -90.36 -48.19 7.28 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.637 175.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 85' ' ' VAL . 14.5 mt-10 . . . . . 0 C--N 1.332 -0.195 0 C-N-CA 123.744 0.818 . . . . 0.0 112.63 -177.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 tpt . . . . . 0 N--CA 1.482 1.165 0 CA-C-O 120.431 0.158 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.628 ' HA ' ' OE1' ' A' ' 6' ' ' GLN . 85.0 m-85 62.48 103.94 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.154 0.502 . . . . 0.0 111.144 -175.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.51 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 75.5 p -70.06 168.46 15.46 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.6 -177.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.47 -32.74 74.27 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.899 175.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -71.08 -40.38 71.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.345 176.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.628 ' OE1' ' HA ' ' A' ' 2' ' ' TYR . 58.8 tt0 -68.83 -29.7 68.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.927 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 3' ' ' THR . 38.1 mmtm -54.6 -31.99 57.96 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.504 176.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.31 -48.76 78.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.979 -174.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -62.39 -31.18 71.81 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.947 0.403 . . . . 0.0 111.096 -177.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.3 mt -69.9 -51.84 36.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.27 177.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -67.49 -39.09 85.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.74 -174.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 13.6 m95 -66.23 -23.25 66.39 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.716 0.294 . . . . 0.0 111.165 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.434 ' O ' ' HB3' ' A' ' 48' ' ' LEU . . . -112.03 25.08 11.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.909 0.385 . . . . 0.0 111.098 -175.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.6 t -64.17 -26.16 68.4 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.743 -178.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.8 mtp180 72.9 166.5 0.3 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.462 0.705 . . . . 0.0 111.482 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -147.43 17.42 1.17 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.39 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.88 -44.26 71.3 Favored Glycine 0 CA--C 1.522 0.521 0 CA-C-N 115.407 -0.815 . . . . 0.0 115.077 -171.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 15.7 tpt -149.22 128.22 12.69 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 117.699 0.75 . . . . 0.0 111.026 -171.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.455 ' O ' HG22 ' A' ' 23' ' ' VAL . 89.2 mt -56.34 -45.42 80.41 Favored 'General case' 0 C--N 1.332 -0.174 0 O-C-N 123.148 0.28 . . . . 0.0 111.719 -178.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -57.16 -30.4 64.44 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.708 0.29 . . . . 0.0 111.443 178.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.687 HD11 HG21 ' A' ' 59' ' ' VAL . 4.0 mm? -79.71 -55.53 4.94 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 176.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.32 -45.38 65.56 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.668 -176.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.531 HG23 HG13 ' A' ' 24' ' ' VAL . 34.0 m -70.57 -21.29 22.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -173.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.543 HG21 ' HB2' ' A' ' 81' ' ' ASN . 32.5 m -107.58 3.67 9.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.456 -0.498 . . . . 0.0 111.826 -177.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 21' ' ' LEU . 70.7 mt -103.84 -53.08 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 179.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.519 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 1.3 tmt? -56.64 -54.69 51.07 Favored Pre-proline 0 CA--C 1.54 0.588 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -171.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.519 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 58.7 Cg_endo -74.11 -25.87 13.39 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 121.492 1.462 . . . . 0.0 111.989 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.582 ' HZ ' ' HB3' ' A' ' 76' ' ' LYS . 78.6 t80 -69.32 -36.19 76.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.549 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -58.37 -38.87 78.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.879 0.371 . . . . 0.0 110.003 176.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -65.3 -41.63 93.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.502 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -70.6 -52.02 24.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.463 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.5 t -74.86 -20.8 59.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.199 -170.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -55.58 -36.04 66.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.96 0.409 . . . . 0.0 110.753 176.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -62.52 -32.32 73.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.254 177.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.1 t -92.68 -35.42 13.5 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.106 -176.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 78.7 mt -83.92 171.16 13.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.628 0.728 . . . . 0.0 111.868 -174.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.1 p -119.06 168.43 10.84 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.803 174.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -60.83 -33.79 73.57 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -177.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.4 m -54.9 -44.42 74.14 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.035 0.445 . . . . 0.0 110.887 175.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -71.71 -41.83 68.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.385 0.612 . . . . 0.0 110.31 177.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.523 ' O ' HG23 ' A' ' 45' ' ' VAL . 48.1 mt-30 -62.7 -37.87 88.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.399 -178.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -56.89 -45.79 82.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.192 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -62.48 -40.17 95.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.028 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -65.47 -44.37 87.4 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.113 176.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 41' ' ' GLN . 93.0 t -63.32 -45.62 97.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.1 -179.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.36 -34.29 73.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.969 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 33.7 tp -62.91 -40.86 98.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.632 177.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.434 ' HB3' ' O ' ' A' ' 13' ' ' ALA . 89.6 mt -59.54 -33.02 70.87 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.295 0.479 . . . . 0.0 112.295 -173.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -78.07 -14.52 59.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.233 0.539 . . . . 0.0 110.592 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.4 t -97.68 -154.72 0.46 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.435 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 1.4 t0 -123.14 171.79 9.05 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 177.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.519 ' O ' ' HB2' ' A' ' 56' ' ' PHE . 8.0 m-20 -124.5 66.62 45.94 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.979 -173.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.435 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 4.8 Cg_exo -76.38 -56.46 0.05 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.906 1.738 . . . . 0.0 111.832 -177.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.501 ' O ' ' HD1' ' A' ' 58' ' ' TRP . 5.7 p-10 -70.47 -41.09 73.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.777 178.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.507 HD22 HG21 ' A' ' 74' ' ' VAL . 91.1 mt -65.58 -36.96 85.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.874 -176.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.519 ' HB2' ' O ' ' A' ' 52' ' ' ASP . 32.8 t80 -56.58 -36.99 69.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.252 0.549 . . . . 0.0 110.044 173.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.56 ' HB1' ' O ' ' A' ' 62' ' ' HIS . . . -71.35 -31.2 67.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.172 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.501 ' HD1' ' O ' ' A' ' 54' ' ' ASP . 22.7 m95 -63.31 -45.29 92.04 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.822 0.344 . . . . 0.0 110.531 176.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.687 HG21 HD11 ' A' ' 21' ' ' LEU . 40.2 t -63.21 -37.68 80.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.295 0.569 . . . . 0.0 110.342 178.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.2 mmt -79.14 -7.67 58.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.215 179.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.6 26.28 43.24 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.314 -0.47 . . . . 0.0 113.821 171.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.56 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 2.3 m-70 -154.66 83.16 1.1 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 117.191 0.495 . . . . 0.0 111.528 179.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 174.14 151.71 8.5 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 119.622 -1.275 . . . . 0.0 113.349 176.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.419 ' C ' ' HE1' ' A' ' 58' ' ' TRP . 45.6 mtm180 -103.44 175.06 5.6 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 174.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 21.0 t -125.99 156.02 40.5 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.583 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -68.46 -43.76 76.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.059 0.457 . . . . 0.0 110.084 177.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -140.2 128.91 23.09 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.134 178.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 58.6 mt -73.81 -11.25 60.32 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -169.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.86 -47.69 84.37 Favored Glycine 0 C--N 1.324 -0.127 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.836 176.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.451 ' O ' HG23 ' A' ' 74' ' ' VAL . 74.0 mt -63.88 -47.21 81.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.071 0.463 . . . . 0.0 110.154 175.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.62 -28.41 68.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.074 -177.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.19 -50.84 70.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.691 0.282 . . . . 0.0 111.393 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -28.05 61.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.747 0.308 . . . . 0.0 110.725 179.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.507 HG21 HD22 ' A' ' 55' ' ' LEU . 73.7 t -65.92 -36.64 78.0 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.353 174.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -54.84 -41.99 71.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.596 177.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.594 ' HE2' ' HA ' ' A' ' 76' ' ' LYS . 8.2 mmpt? -58.97 -40.01 83.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.693 177.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.8 mt -69.97 -46.96 71.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.525 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.525 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 93.1 t -60.53 -43.87 95.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.832 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.98 -35.45 75.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.908 0.385 . . . . 0.0 110.806 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -71.27 -36.47 71.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.034 0.445 . . . . 0.0 109.875 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.543 ' HB2' HG21 ' A' ' 24' ' ' VAL . 21.1 t-20 -67.85 -39.39 83.81 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.807 177.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 89.4 mt -55.84 -33.12 64.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.474 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.48 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 32.0 m -66.01 -47.26 75.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.576 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.424 ' HE2' ' HB2' ' A' ' 84' ' ' LYS . 6.2 ptmm? -69.98 -26.03 63.89 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.263 178.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 53.2 t -73.44 -46.13 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.74 177.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' ' 83' ' ' SER . 36.4 ptt180 -69.69 -19.36 63.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.633 -179.101 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.6 tp -74.35 -23.41 59.02 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.515 177.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 . . . . . 0 N--CA 1.468 0.441 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.353 178.169 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.478 0.97 0 CA-C-O 120.905 0.383 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -133.4 99.96 4.68 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 176.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.533 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 24.5 p -85.74 -178.64 6.67 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.177 -176.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.04 -39.72 72.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.699 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -60.9 -44.5 97.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.974 0.416 . . . . 0.0 110.641 178.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -69.64 -32.01 70.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 3' ' ' THR . 34.5 mmtp -56.54 -41.36 76.67 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.023 0.439 . . . . 0.0 110.366 177.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.03 -45.07 74.96 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.439 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -61.96 -41.36 97.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.934 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 87.6 mt -64.23 -45.6 95.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.584 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.611 ' HA ' ' SG ' ' A' ' 14' ' ' CYS . 54.6 mtmt -66.3 -35.38 80.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.294 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.6 m0 -60.39 -33.88 73.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.661 174.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.416 ' O ' ' HB3' ' A' ' 48' ' ' LEU . . . -92.38 -2.29 56.45 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.327 -0.397 . . . . 0.0 112.064 -177.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.611 ' SG ' ' HA ' ' A' ' 11' ' ' LYS . 84.4 m -70.83 -24.89 62.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.408 0.623 . . . . 0.0 110.366 177.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 15' ' ' ARG . 56.0 mtt180 -91.83 -164.63 1.21 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.906 179.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 75.5 142.38 0.07 Allowed 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.612 0.57 . . . . 0.0 110.096 -178.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.68 -63.22 4.49 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.974 177.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.599 ' SD ' ' HG ' ' A' ' 21' ' ' LEU . 18.2 ttt -131.83 127.39 36.5 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.136 0.493 . . . . 0.0 111.638 -174.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.6 mt -75.65 -37.89 59.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.345 -176.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.403 ' HB2' ' CE ' ' A' ' 18' ' ' MET . 6.8 mp0 -64.92 -27.92 69.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 0.0 110.722 179.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.599 ' HG ' ' SD ' ' A' ' 18' ' ' MET . 20.8 mt -68.64 -39.15 80.86 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.75 179.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.84 -45.48 59.73 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.241 -0.436 . . . . 0.0 112.015 179.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.3 m -83.72 -10.6 11.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -173.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.405 HG22 ' HA ' ' A' ' 21' ' ' LEU . 33.7 m -110.53 -33.76 2.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -177.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 68.5 mt -63.77 -41.93 94.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -176.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.665 ' HB2' ' HD3' ' A' ' 27' ' ' PRO . 72.5 mtm -61.78 -53.94 55.92 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-O 119.388 -0.339 . . . . 0.0 111.657 -178.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.665 ' HD3' ' HB2' ' A' ' 26' ' ' MET . 46.0 Cg_exo -58.72 -41.47 63.12 Favored 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 122.151 1.901 . . . . 0.0 112.627 176.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -64.82 -37.06 86.34 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.78 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -61.49 -43.82 98.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.368 177.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.55 ' HG3' ' O ' ' A' ' 26' ' ' MET . 26.6 mt-10 -56.28 -41.09 75.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.294 0.569 . . . . 0.0 110.686 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -74.7 -51.39 14.42 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.798 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 58.0 m -77.23 -22.97 51.43 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -170.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -54.35 -39.12 66.81 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.777 0.322 . . . . 0.0 111.498 -178.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -69.73 -22.37 63.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.615 -178.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.9 m -99.58 -34.62 10.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.795 -175.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.9 mt -76.79 139.72 40.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.13 0.49 . . . . 0.0 111.843 -173.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.2 p -85.69 174.53 9.32 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.925 173.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -56.83 -46.99 81.32 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 111.476 0.176 . . . . 0.0 111.476 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.8 m -58.78 -45.24 90.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.742 0.306 . . . . 0.0 111.259 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.427 ' HB3' ' SD ' ' A' ' 73' ' ' MET . 44.8 mt-10 -65.34 -42.88 92.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.427 0.632 . . . . 0.0 110.151 177.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.445 ' O ' HG23 ' A' ' 45' ' ' VAL . 35.6 mt-30 -60.25 -40.3 89.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.333 177.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -61.2 -46.14 91.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.605 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.436 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 2.1 m-20 -67.49 -32.55 73.44 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.727 178.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -63.98 -45.7 87.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.26 177.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 41' ' ' GLN . 74.1 t -64.78 -41.05 91.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.167 177.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.43 -33.1 70.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.562 176.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 43' ' ' ASP . 72.2 mt -65.65 -38.17 88.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.034 177.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.466 HD22 ' HA ' ' A' ' 14' ' ' CYS . 88.1 mt -66.44 -27.38 67.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.255 0.55 . . . . 0.0 110.978 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -76.17 -13.71 60.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.937 177.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.4 m -102.02 171.33 7.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.195 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.651 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 0.7 OUTLIER -79.5 -169.34 1.87 Allowed 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 176.061 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.571 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 5.6 p-10 -116.02 48.11 0.59 Allowed Pre-proline 0 CA--C 1.545 0.776 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -175.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.651 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 7.0 Cg_endo -89.51 -49.1 0.03 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 121.539 1.493 . . . . 0.0 111.326 177.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.448 ' H ' ' HD2' ' A' ' 53' ' ' PRO . 6.4 m-20 -66.45 -39.56 88.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.363 177.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.456 ' O ' HG23 ' A' ' 59' ' ' VAL . 95.9 mt -60.99 -50.39 73.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.516 179.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -58.85 -46.3 88.07 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.473 0.654 . . . . 0.0 110.786 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.452 ' HB1' ' CA ' ' A' ' 63' ' ' GLY . . . -68.97 -35.97 77.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.704 -172.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -75.98 -30.75 58.7 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.726 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 55' ' ' LEU . 69.9 t -66.12 -40.36 86.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.622 0.249 . . . . 0.0 110.58 176.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.8 ptm -78.82 -21.25 47.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.039 0.447 . . . . 0.0 110.306 177.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.05 35.04 10.09 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.984 176.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -128.18 -3.09 5.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.107 0.48 . . . . 0.0 110.639 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.452 ' CA ' ' HB1' ' A' ' 57' ' ' ALA . . . -94.78 160.71 23.44 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.291 -0.957 . . . . 0.0 112.616 -176.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -129.02 140.58 51.56 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 49.7 t -149.67 122.43 8.67 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 177.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -67.08 -33.29 75.18 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.033 -175.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -82.61 95.49 7.8 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 50.0 mt -72.11 -14.5 61.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.901 -178.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.82 -47.14 92.7 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 169.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 66.6 mt -62.47 -41.37 98.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.232 0.539 . . . . 0.0 110.326 174.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.07 -24.41 66.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.828 -178.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.497 ' O ' ' HG2' ' A' ' 76' ' ' LYS . . . -57.44 -50.34 73.34 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.249 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.427 ' SD ' ' HB3' ' A' ' 40' ' ' GLU . 2.9 mpp? -68.98 -30.1 68.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.737 0.303 . . . . 0.0 110.948 179.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.488 ' O ' HG23 ' A' ' 78' ' ' VAL . 58.2 t -65.37 -42.55 93.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 176.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -58.89 -38.49 78.97 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.867 178.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 25.7 mmmt -59.49 -40.86 88.38 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.824 177.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 73.4 mt -71.26 -46.38 65.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.691 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.659 ' HA ' ' OD1' ' A' ' 81' ' ' ASN . 89.6 t -55.53 -47.32 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.397 -178.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.35 -38.59 80.76 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.125 0.488 . . . . 0.0 110.843 179.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -71.73 -46.88 57.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.938 -177.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.659 ' OD1' ' HA ' ' A' ' 78' ' ' VAL . 1.2 p-10 -70.81 -39.63 72.97 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.272 -176.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 82' ' ' LEU . 23.4 mt -61.78 -32.29 72.55 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.769 0.318 . . . . 0.0 111.025 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.4 t -64.22 -46.54 83.41 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.785 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.604 ' HG2' ' O ' ' A' ' 81' ' ' ASN . 14.4 ptmm? -70.04 -25.91 63.78 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.554 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 81' ' ' ASN . 70.2 t -70.24 -38.91 76.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.063 0.459 . . . . 0.0 110.072 178.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -70.32 -34.65 72.95 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.256 174.611 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 57.2 tp -66.78 -60.97 2.21 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.391 -178.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -179.683 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.959 0.409 . . . . 0.0 110.763 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.608 ' CD1' ' HG2' ' A' ' 6' ' ' GLN . 23.2 m-85 -107.81 124.29 49.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.064 177.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.8 p -111.01 -165.74 1.02 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.823 -176.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.32 -31.18 70.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.595 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.24 -42.09 94.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.065 0.46 . . . . 0.0 110.069 176.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.608 ' HG2' ' CD1' ' A' ' 2' ' ' TYR . 2.5 mp0 -69.21 -38.03 78.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.156 177.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.412 ' HB3' ' HE2' ' A' ' 7' ' ' LYS . 43.4 mtpt -61.47 -34.37 75.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.889 176.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.444 ' O ' ' HD1' ' A' ' 12' ' ' TRP . . . -62.63 -41.73 99.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.746 0.308 . . . . 0.0 110.932 178.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -62.45 -36.09 81.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.146 0.498 . . . . 0.0 109.719 178.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.2 mt -70.81 -42.61 77.45 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.449 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.216 176.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.6 tptt -52.58 -38.32 59.77 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.589 0.756 . . . . 0.0 112.084 -177.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.444 ' HD1' ' O ' ' A' ' 8' ' ' ALA . 38.8 m95 -72.1 -28.43 63.29 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.63 3.31 12.37 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -172.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 23.3 p -70.02 -26.8 64.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.809 0.338 . . . . 0.0 111.215 -175.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.5 ptt-85 -87.99 -3.17 58.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.396 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 56.62 -86.02 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 O-C-N 123.999 0.812 . . . . 0.0 110.966 -177.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.7 17.22 0.17 Allowed Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 175.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 44.7 tpp -136.98 118.01 14.32 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -174.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.7 mp -66.97 -23.26 65.93 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.082 -176.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -66.4 -24.21 66.43 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.826 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.406 ' HA ' HG12 ' A' ' 24' ' ' VAL . 87.1 mt -99.03 -18.13 17.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.817 -174.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -55.67 -44.42 77.24 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.069 0.461 . . . . 0.0 111.04 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.9 m -76.59 -14.93 14.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.652 -0.703 . . . . 0.0 112.609 -174.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.406 HG12 ' HA ' ' A' ' 21' ' ' LEU . 7.2 p -101.97 -21.2 5.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.021 -178.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 73.1 mt -94.46 -60.91 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.595 -178.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.605 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 28.3 ttt -66.36 -53.26 32.04 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 113.315 0.858 . . . . 0.0 113.315 -169.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.605 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 52.4 Cg_exo -57.17 -42.31 64.64 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.904 1.736 . . . . 0.0 112.444 -178.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -69.07 -36.62 77.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.526 178.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -62.96 -43.62 98.3 Favored 'General case' 0 C--O 1.214 -0.813 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.569 176.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -63.61 -34.55 78.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.139 0.495 . . . . 0.0 111.117 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -66.5 -51.51 55.89 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.972 176.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.508 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 33.4 m -75.81 -23.76 55.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.545 -176.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -54.86 -36.68 65.34 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 123.665 0.786 . . . . 0.0 111.853 -177.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -66.39 -22.51 66.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.043 0.449 . . . . 0.0 110.893 -178.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.3 t -101.02 -34.62 9.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.028 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 96.8 mt -65.79 152.96 43.17 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.278 0.561 . . . . 0.0 112.053 -176.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.0 p -104.66 173.81 6.15 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.051 176.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -60.7 -37.22 80.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.593 0.235 . . . . 0.0 111.17 -178.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.9 m -57.58 -41.32 80.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.887 0.375 . . . . 0.0 110.729 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -69.96 -47.51 62.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.52 0.676 . . . . 0.0 110.01 177.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.494 ' O ' HG23 ' A' ' 45' ' ' VAL . 51.4 mt-30 -58.16 -43.88 87.63 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.615 -1.175 . . . . 0.0 111.951 -177.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -67.12 -40.8 86.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.057 0.456 . . . . 0.0 111.062 -174.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -66.43 -42.09 88.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.737 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -68.18 -42.46 79.91 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.419 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 41' ' ' GLN . 77.6 t -61.83 -40.34 86.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.803 0.335 . . . . 0.0 110.233 177.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.8 -35.51 70.93 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.833 176.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.575 HD12 HD22 ' A' ' 70' ' ' LEU . 6.0 tt -66.57 -45.58 78.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.137 177.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.26 -28.49 70.06 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.965 0.412 . . . . 0.0 111.836 -177.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 45' ' ' VAL . 41.6 mt-10 -74.26 -21.41 59.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.206 0.527 . . . . 0.0 110.234 177.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.2 m -99.91 174.44 6.19 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.367 178.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.575 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 3.5 m-20 -71.91 158.42 36.07 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 175.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.506 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 7.2 p-10 -119.02 52.58 1.8 Allowed Pre-proline 0 CA--C 1.54 0.558 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -171.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.575 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 3.3 Cg_exo -76.95 -35.18 1.93 Allowed 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.348 1.365 . . . . 0.0 110.447 175.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -66.3 -44.12 84.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.205 177.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.445 ' O ' HG23 ' A' ' 59' ' ' VAL . 7.9 tt -59.02 -49.82 76.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.031 -178.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -62.67 -41.36 99.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.61 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.562 ' HB1' ' HA3' ' A' ' 63' ' ' GLY . . . -66.37 -38.21 87.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.891 -176.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.43 ' HZ2' ' H ' ' A' ' 65' ' ' CYS . 17.9 m95 -70.9 -35.9 72.5 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.896 -0.321 . . . . 0.0 111.689 -179.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 55' ' ' LEU . 87.2 t -65.19 -43.38 95.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.466 178.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 22.3 ttt -78.85 -15.09 58.82 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 121.016 0.436 . . . . 0.0 110.685 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.31 38.64 21.22 Favored Glycine 0 CA--C 1.518 0.233 0 C-N-CA 121.198 -0.525 . . . . 0.0 112.77 176.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 50.2 m170 -126.83 2.45 6.67 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.584 0.216 . . . . 0.0 111.584 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.562 ' HA3' ' HB1' ' A' ' 57' ' ' ALA . . . -126.73 158.65 20.82 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 119.809 -1.186 . . . . 0.0 113.865 -171.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.445 ' HD2' ' C ' ' A' ' 63' ' ' GLY . 6.3 mpt_? -131.13 143.14 50.42 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 174.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.43 ' H ' ' HZ2' ' A' ' 58' ' ' TRP . 25.5 p -111.61 157.27 20.61 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.496 -177.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -73.69 -37.69 65.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.156 0.503 . . . . 0.0 110.057 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -104.25 110.21 22.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.366 177.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 28.0 mt -74.7 -10.53 59.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.919 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.38 -38.61 94.99 Favored Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 171.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.575 HD22 HD12 ' A' ' 47' ' ' LEU . 69.4 mt -68.55 -32.9 73.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.278 0.561 . . . . 0.0 110.705 176.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.99 -24.49 64.23 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.662 178.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.18 -53.8 52.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.999 -177.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.476 ' SD ' ' HA ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -73.41 -28.51 62.04 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.945 -178.614 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.468 ' O ' HG23 ' A' ' 78' ' ' VAL . 78.8 t -65.66 -41.25 90.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.853 0.359 . . . . 0.0 110.274 175.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -64.14 -34.25 77.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.008 0.432 . . . . 0.0 110.112 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -65.31 -35.52 81.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.385 175.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 73' ' ' MET . 79.0 mt -65.98 -40.27 86.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.106 0.479 . . . . 0.0 109.747 173.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 74' ' ' VAL . 66.2 t -61.32 -35.2 64.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.503 175.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.99 -36.34 81.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.019 0.438 . . . . 0.0 110.915 177.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -71.32 -40.75 70.59 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 176.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.497 ' O ' HG23 ' A' ' 85' ' ' VAL . 48.9 t-20 -62.33 -38.75 90.64 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.836 177.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 29.0 tp -54.67 -36.59 64.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.945 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.474 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 26.1 t -71.1 -40.67 71.35 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.306 -178.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.418 ' HG2' ' HA ' ' A' ' 81' ' ' ASN . 11.6 ptmt -70.15 -27.22 64.38 Favored 'General case' 0 C--N 1.334 -0.106 0 C-N-CA 119.842 -0.743 . . . . 0.0 109.974 176.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 81' ' ' ASN . 73.9 t -65.93 -54.08 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 175.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.474 ' HG2' ' O ' ' A' ' 83' ' ' SER . 36.8 ptt180 -62.04 -22.34 65.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.953 0.406 . . . . 0.0 110.848 -179.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 54.1 tp -84.15 -56.03 3.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.671 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 . . . . . 0 C--N 1.331 -0.217 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -174.279 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.9 mtt . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.739 0.304 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.714 ' HA ' ' OE1' ' A' ' 6' ' ' GLN . 76.9 m-85 -100.94 113.73 26.96 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.099 0.476 . . . . 0.0 110.381 178.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.6 p -91.57 -177.02 4.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.017 -172.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.67 -34.64 67.56 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.96 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -62.79 -49.19 75.95 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 121.352 0.596 . . . . 0.0 110.102 177.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.714 ' OE1' ' HA ' ' A' ' 2' ' ' TYR . 86.3 mt-30 -69.68 -30.52 68.2 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.447 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 43.0 mttm -54.1 -44.24 71.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.794 -0.184 . . . . 0.0 110.97 177.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.28 -42.68 71.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.966 0.412 . . . . 0.0 110.666 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -64.76 -38.75 92.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.322 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 88.5 mt -72.0 -42.19 68.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.3 175.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.55 ' HE3' ' SD ' ' A' ' 26' ' ' MET . 80.3 tttt -55.11 -40.96 71.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.729 178.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -71.24 -30.91 66.91 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.266 177.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.98 -52.42 24.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.793 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.577 ' HB3' HD13 ' A' ' 48' ' ' LEU . 17.2 p -68.0 -25.75 65.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.045 -179.338 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.629 ' HG3' ' HB2' ' A' ' 22' ' ' ASP . 62.6 ttt-85 -61.46 -33.2 73.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.023 174.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.595 ' HG3' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER 61.22 -164.04 0.25 Allowed 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.367 176.002 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -93.92 2.51 69.4 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.904 175.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.4 ptp -124.59 131.39 53.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.058 0.456 . . . . 0.0 110.381 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.7 mt -69.77 -24.97 63.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.649 -169.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -61.59 -33.85 74.6 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.141 0.422 . . . . 0.0 112.141 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.595 HD12 ' HG3' ' A' ' 16' ' ' ARG . 53.8 mt -74.74 -26.81 60.04 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.528 -178.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.629 ' HB2' ' HG3' ' A' ' 15' ' ' ARG . 23.3 t70 -65.68 -31.05 71.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.423 0.63 . . . . 0.0 110.01 174.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.0 t -74.03 -24.91 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.283 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.548 HG22 ' HE2' ' A' ' 84' ' ' LYS . 47.9 t -109.82 -56.99 4.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -172.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.3 mt -79.14 -35.1 17.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.653 -0.248 . . . . 0.0 111.625 -170.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.55 ' SD ' ' HE3' ' A' ' 11' ' ' LYS . 16.4 tmm? -58.83 -53.39 66.86 Favored Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.491 -177.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' A' ' 26' ' ' MET . 39.0 Cg_endo -67.77 -27.13 38.09 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 121.457 1.438 . . . . 0.0 111.407 176.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -65.58 -38.92 90.91 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.127 178.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.46 ' HA ' ' HG ' ' A' ' 32' ' ' CYS . 47.0 t80 -57.48 -41.36 80.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.866 0.365 . . . . 0.0 110.739 178.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.75 -46.17 79.82 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.315 178.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -69.02 -51.29 40.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.106 -178.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.633 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 30.0 p -63.66 -39.56 94.64 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.201 -173.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -52.92 -42.63 65.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.822 0.344 . . . . 0.0 111.245 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -70.79 -21.8 62.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.095 0.474 . . . . 0.0 111.395 -178.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.9 t -104.82 -16.84 14.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.896 -173.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 37.2 mt -104.95 171.98 7.03 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.364 0.602 . . . . 0.0 111.268 -175.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 37.7 p -88.06 166.25 14.58 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.354 171.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.9 -34.75 78.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.255 0.55 . . . . 0.0 110.229 177.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 m -57.41 -50.06 74.22 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.852 176.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.424 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . 37.7 mt-10 -61.85 -42.63 99.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.28 177.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.508 ' O ' HG23 ' A' ' 45' ' ' VAL . 5.2 tt0 -57.22 -42.52 81.53 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.406 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.01 -45.43 92.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.136 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.25 -39.42 82.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.722 178.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -68.41 -40.15 81.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.796 178.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 41' ' ' GLN . 87.0 t -66.01 -43.0 92.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.572 178.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.12 -36.33 70.54 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.645 HD21 ' HB3' ' A' ' 70' ' ' LEU . 76.2 mt -62.98 -50.94 68.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.868 175.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.577 HD13 ' HB3' ' A' ' 14' ' ' CYS . 87.1 mt -66.44 -23.06 66.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.865 -175.018 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -75.15 -13.43 60.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.936 0.398 . . . . 0.0 110.932 177.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.7 m -96.53 -168.62 1.76 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 173.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.569 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 19.0 t70 -98.58 155.91 17.06 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 170.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.538 ' OD2' ' HD2' ' A' ' 16' ' ' ARG . 35.8 m-20 -113.93 54.48 0.66 Allowed Pre-proline 0 N--CA 1.472 0.65 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 -170.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.569 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 2.7 Cg_exo -77.47 -29.95 4.39 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.428 1.419 . . . . 0.0 109.934 169.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -69.02 -47.3 65.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.19 177.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.5 HD21 HG21 ' A' ' 77' ' ' ILE . 7.1 tt -60.86 -49.07 78.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.735 -179.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -62.65 -30.77 71.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.097 0.475 . . . . 0.0 110.349 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.77 -45.04 83.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.309 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.546 ' HB2' HG11 ' A' ' 74' ' ' VAL . 27.1 m95 -65.26 -30.6 71.49 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.212 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 55' ' ' LEU . 62.3 t -64.79 -34.04 67.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.012 0.434 . . . . 0.0 110.217 176.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 68.5 mtm -88.95 -22.34 23.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.285 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.14 53.72 0.69 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 121.039 -0.6 . . . . 0.0 112.75 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -145.13 92.8 2.3 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -98.09 -125.38 5.22 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.78 -0.645 . . . . 0.0 113.28 -177.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 69.18 25.54 5.7 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.428 0.691 . . . . 0.0 111.721 -176.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 97.7 m -75.24 163.59 27.35 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.14 176.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -59.08 -50.24 74.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.446 -175.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -117.08 116.63 27.7 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.352 -169.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.1 mt -75.8 -22.48 56.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.734 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.81 -42.53 99.67 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.795 -0.717 . . . . 0.0 111.501 175.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.645 ' HB3' HD21 ' A' ' 47' ' ' LEU . 96.6 mt -68.82 -35.68 77.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.943 0.401 . . . . 0.0 110.052 174.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.64 -29.73 70.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.03 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.498 ' O ' ' HG3' ' A' ' 76' ' ' LYS . . . -65.08 -29.56 70.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.225 176.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 24.4 mmt -73.02 -36.54 67.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.606 176.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.546 HG11 ' HB2' ' A' ' 58' ' ' TRP . 46.5 t -67.54 -36.66 76.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.854 175.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -54.82 -39.87 68.97 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.622 175.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.498 ' HG3' ' O ' ' A' ' 72' ' ' ALA . 65.4 mttm -69.43 -36.82 77.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.75 177.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.5 HG21 HD21 ' A' ' 55' ' ' LEU . 47.0 mm -59.38 -48.28 87.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 174.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 74' ' ' VAL . 59.0 t -64.04 -35.78 74.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.722 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.18 -42.8 99.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.321 . . . . 0.0 111.241 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -66.07 -42.93 88.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.239 0.543 . . . . 0.0 109.634 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.421 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 4.5 t30 -65.95 -36.32 83.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.047 177.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.442 ' O ' HD23 ' A' ' 82' ' ' LEU . 5.0 tt -54.76 -35.68 64.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.48 -177.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.433 ' HA ' ' HG2' ' A' ' 86' ' ' ARG . 14.4 m -64.17 -49.29 72.66 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.463 -178.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.548 ' HE2' HG22 ' A' ' 24' ' ' VAL . 21.1 pttp -69.95 -22.8 63.14 Favored 'General case' 0 N--CA 1.461 0.104 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.626 -178.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 93.2 t -79.98 -42.16 21.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.761 176.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.433 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 32.9 ptt180 -74.35 -21.79 59.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.895 -177.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.443 ' O ' HD23 ' A' ' 87' ' ' LEU . 6.3 tt -64.7 -33.57 76.26 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 172.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.303 178.049 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 120.961 0.41 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -84.27 145.46 28.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.033 -178.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.2 p -118.53 158.72 24.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.12 0.486 . . . . 0.0 111.865 -174.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.503 ' O ' ' HB2' ' A' ' 7' ' ' LYS . . . -65.62 -29.38 69.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.566 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.84 -39.94 90.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.311 0.577 . . . . 0.0 110.082 177.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -66.26 -29.6 69.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.347 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.503 ' HB2' ' O ' ' A' ' 4' ' ' ALA . 25.2 mtpp -56.69 -39.69 74.26 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.914 0.387 . . . . 0.0 110.444 174.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.08 -36.55 84.69 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.492 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -62.98 -34.02 76.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.362 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.4 mt -71.52 -43.99 71.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.985 175.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -57.35 -38.52 74.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.365 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -70.79 -22.82 62.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.496 178.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.72 22.88 14.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.691 -174.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.8 p -67.83 -25.89 65.79 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.716 0.294 . . . . 0.0 110.677 178.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.2 mtt180 75.71 134.77 0.05 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.265 -0.879 . . . . 0.0 112.598 175.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -71.17 -23.1 61.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.008 175.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.0 -20.71 74.93 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.162 177.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.573 ' HB3' ' HB3' ' A' ' 21' ' ' LEU . 1.5 mpt? -101.12 72.41 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.154 0.502 . . . . 0.0 109.826 177.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.92 -56.31 12.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.645 -172.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.0 mp0 -71.53 -31.38 66.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.052 0.454 . . . . 0.0 110.779 -179.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.573 ' HB3' ' HB3' ' A' ' 18' ' ' MET . 5.3 tp -68.29 -38.02 81.24 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.275 -176.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -51.59 -38.21 53.5 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.648 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.9 t -71.17 -37.27 65.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.651 -176.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.554 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 35.7 m -91.77 -27.62 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -172.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 21' ' ' LEU . 65.9 mt -59.08 -42.38 86.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -175.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.706 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 42.5 tpp -57.09 -53.66 62.93 Favored Pre-proline 0 CA--C 1.542 0.669 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -172.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.706 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 2.8 Cg_exo -78.45 -32.63 2.15 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 122.124 1.883 . . . . 0.0 112.666 177.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -67.72 -36.65 81.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.854 -0.157 . . . . 0.0 110.8 -178.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.603 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 87.5 t80 -56.76 -44.68 82.01 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.783 0.325 . . . . 0.0 110.23 177.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -57.67 -45.21 85.87 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.159 178.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -72.87 -35.61 67.2 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.837 -177.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.603 ' SG ' ' HA ' ' A' ' 29' ' ' PHE . 28.2 p -75.98 -34.01 59.76 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.282 178.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -62.32 -36.35 81.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.166 0.507 . . . . 0.0 110.476 177.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -63.22 -28.1 69.81 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.276 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.3 t -97.65 -44.8 6.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.217 -176.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 51.4 mt -75.49 144.44 42.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.626 0.25 . . . . 0.0 110.91 -176.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -94.39 -178.49 4.6 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 173.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -54.57 -43.51 72.14 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -176.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.5 m -57.88 -51.57 69.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.955 0.407 . . . . 0.0 111.408 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.2 mp0 -70.28 -41.52 73.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.187 -178.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.432 ' O ' HG23 ' A' ' 45' ' ' VAL . 2.8 tt0 -62.37 -40.97 98.18 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.156 -178.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -62.89 -40.88 98.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.36 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -59.61 -43.18 93.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.111 177.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.489 ' HD1' ' SD ' ' A' ' 73' ' ' MET . 64.1 t80 -64.84 -49.3 71.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.376 177.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 41' ' ' GLN . 90.9 t -64.49 -39.35 85.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.183 -178.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.49 -36.97 79.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.932 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.444 HD22 HD22 ' A' ' 70' ' ' LEU . 33.1 tp -67.82 -35.93 79.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.104 177.442 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 44' ' ' PHE . 86.7 mt -59.23 -31.23 68.86 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -176.051 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -78.74 -14.06 59.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.011 0.434 . . . . 0.0 111.185 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.0 t -96.25 -177.9 4.13 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 177.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -112.78 113.52 25.65 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 177.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.816 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -118.46 87.2 30.28 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 121.54 0.686 . . . . 0.0 111.727 -176.115 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -68.04 -27.26 36.3 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.633 2.222 . . . . 0.0 110.5 173.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.516 ' O ' ' HD1' ' A' ' 58' ' ' TRP . 4.6 m-20 -65.11 -38.11 89.62 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.343 174.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.816 ' HB2' ' HB3' ' A' ' 52' ' ' ASP . 1.1 tt -58.04 -50.18 74.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.14 176.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -63.98 -34.64 78.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.222 176.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.556 ' HB1' ' O ' ' A' ' 62' ' ' HIS . . . -63.39 -39.94 95.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.511 179.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.516 ' HD1' ' O ' ' A' ' 54' ' ' ASP . 17.1 m95 -64.74 -37.28 87.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 110.806 177.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.2 t -65.9 -39.57 85.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.428 176.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 86.6 mmm -75.65 -21.26 57.84 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.762 0.315 . . . . 0.0 111.34 176.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.75 27.13 22.8 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 121.105 -0.569 . . . . 0.0 112.656 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.556 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 94.7 m-70 -145.99 77.31 1.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.883 0.342 . . . . 0.0 111.064 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -179.52 163.92 31.61 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 119.897 -1.144 . . . . 0.0 112.841 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 73.6 mtt-85 -127.17 138.42 53.14 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 35.7 t -89.34 146.96 24.35 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -177.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -69.11 -37.75 78.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.071 0.462 . . . . 0.0 110.286 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -138.06 118.13 13.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.904 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 31.1 mt -65.36 -14.9 61.89 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -173.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.43 -44.18 98.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.584 -0.817 . . . . 0.0 111.271 173.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.444 HD22 HD22 ' A' ' 47' ' ' LEU . 37.9 mt -65.06 -42.19 94.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.291 0.567 . . . . 0.0 109.736 173.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.84 -23.87 67.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.487 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.58 -45.9 90.5 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.917 0.339 . . . . 0.0 111.917 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.489 ' SD ' ' HD1' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -75.4 -28.99 59.66 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.951 177.49 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.434 ' O ' HG23 ' A' ' 78' ' ' VAL . 78.8 t -65.1 -36.32 77.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 175.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -54.24 -41.88 69.24 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.576 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 80' ' ' HIS . 27.4 mmmt -66.55 -37.75 85.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.099 -179.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 63.7 mt -70.63 -40.43 77.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.495 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 74' ' ' VAL . 78.6 t -59.49 -47.93 89.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.17 -39.39 92.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.168 0.509 . . . . 0.0 110.629 178.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' A' ' 76' ' ' LYS . 0.4 OUTLIER -60.73 -48.43 81.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.632 179.673 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.45 ' O ' HG23 ' A' ' 85' ' ' VAL . 9.3 t30 -67.07 -40.52 87.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.684 178.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.4 tt -56.29 -43.22 78.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.017 0.437 . . . . 0.0 109.989 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.507 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 8.0 t -66.92 -44.81 79.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.48 -177.033 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -69.31 -22.55 63.78 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.05 -178.403 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 81' ' ' ASN . 73.8 t -79.66 -39.8 20.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.883 176.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' A' ' 83' ' ' SER . 40.3 ptt180 -73.7 -24.9 60.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.929 0.395 . . . . 0.0 111.003 -178.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 83' ' ' SER . 78.3 mt -70.45 -44.22 68.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.676 175.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 . . . . . 0 N--CA 1.464 0.232 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.439 -177.391 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.3 ttm . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 120.571 0.224 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -123.62 103.73 8.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.058 0.456 . . . . 0.0 110.966 177.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.5 p -104.75 -163.75 0.99 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.969 176.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.22 -35.83 78.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.621 0.248 . . . . 0.0 111.634 -177.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -60.3 -42.58 95.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.594 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -69.5 -36.35 76.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.396 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -60.35 -35.31 75.37 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.688 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . . . -64.65 -36.87 85.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.973 178.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -63.63 -36.3 83.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.133 0.492 . . . . 0.0 110.265 176.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.1 mt -70.61 -49.78 49.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.959 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.688 ' HG2' ' HA ' ' A' ' 8' ' ' ALA . 18.5 ptpt -60.84 -34.71 74.98 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.939 0.4 . . . . 0.0 111.419 -178.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -71.03 -22.49 62.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.566 177.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.77 -41.28 8.14 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -173.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.407 ' SG ' ' HA ' ' A' ' 11' ' ' LYS . 19.9 p -64.74 -26.3 68.3 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -173.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.505 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 93.5 mtt180 -90.35 -176.44 4.8 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.471 -176.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.505 ' HB2' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 75.49 138.98 0.06 Allowed 'General case' 0 N--CA 1.47 0.535 0 O-C-N 124.008 0.817 . . . . 0.0 111.091 -172.455 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.04 -65.13 3.94 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.382 -0.826 . . . . 0.0 112.176 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.5 ptt? -132.08 111.3 11.36 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.27 0.557 . . . . 0.0 110.627 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 84.0 mt -81.46 -27.29 34.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.521 -177.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -56.52 -44.88 81.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.623 -176.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.461 ' O ' HG13 ' A' ' 25' ' ' ILE . 4.4 mm? -64.0 -44.97 91.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.499 -176.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -56.29 -33.88 65.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.927 0.394 . . . . 0.0 111.443 -177.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.7 t -59.55 -37.96 72.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.843 -177.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.6 m -100.45 -25.03 3.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -176.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 21' ' ' LEU . 74.2 mt -67.67 -52.28 42.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 111.705 0.261 . . . . 0.0 111.705 -176.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.611 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 53.7 ttp -57.66 -53.49 65.09 Favored Pre-proline 0 CA--C 1.54 0.588 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -172.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.611 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 24.3 Cg_exo -63.89 -36.79 48.13 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.964 1.776 . . . . 0.0 112.371 -178.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -69.53 -40.89 76.63 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 177.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -58.9 -44.35 91.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.647 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -54.39 -45.12 72.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.081 0.467 . . . . 0.0 111.461 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -75.01 -45.5 41.41 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.761 178.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 35.1 t -65.09 -34.1 77.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.937 0.399 . . . . 0.0 111.079 -176.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -53.35 -35.54 60.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.831 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -58.27 -30.61 66.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.1 0.476 . . . . 0.0 110.802 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.2 t -98.26 -26.52 14.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.805 -178.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.1 mt -72.39 139.02 47.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.199 0.523 . . . . 0.0 110.873 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.4 p -91.28 169.54 10.73 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.016 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -50.71 -46.19 58.79 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.319 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.4 p -61.18 -49.49 76.99 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.616 -177.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -62.93 -47.0 85.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.585 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.444 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -59.96 -41.37 91.77 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.02 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -61.22 -45.07 96.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -62.04 -42.91 99.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.802 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.463 ' CZ ' HD11 ' A' ' 48' ' ' LEU . 35.2 t80 -62.54 -48.32 80.01 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.154 179.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 41' ' ' GLN . 87.7 t -60.75 -48.84 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.348 -178.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.26 -33.21 71.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.395 -177.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 1.023 HD22 HD13 ' A' ' 70' ' ' LEU . 17.3 tp -68.0 -40.95 82.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.888 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.463 HD11 ' CZ ' ' A' ' 44' ' ' PHE . 97.5 mt -69.81 -16.74 63.33 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -174.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -58.51 -35.07 71.68 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -168.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 39.4 m -152.69 113.45 4.13 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 122.082 -0.386 . . . . 0.0 111.75 172.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.0 t70 55.25 119.37 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 O-C-N 124.765 1.291 . . . . 0.0 113.435 175.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.727 ' CG ' ' HB2' ' A' ' 55' ' ' LEU . 4.1 t0 -114.04 85.85 10.65 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.043 178.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -77.5 -27.3 6.42 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.558 2.172 . . . . 0.0 111.674 177.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -65.23 -47.77 75.63 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 176.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.727 ' HB2' ' CG ' ' A' ' 52' ' ' ASP . 0.4 OUTLIER -58.97 -50.96 72.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.526 -1.216 . . . . 0.0 110.19 176.524 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -58.94 -47.34 85.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.067 -178.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.37 -34.25 77.55 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -175.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -81.58 -31.46 32.56 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.519 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.47 ' HA ' HG22 ' A' ' 78' ' ' VAL . 74.1 t -68.69 -39.7 80.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.042 0.449 . . . . 0.0 110.316 173.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 25.8 mmt -79.96 -14.35 58.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.135 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.52 45.68 10.76 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.076 -0.583 . . . . 0.0 113.253 176.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -123.89 -15.9 6.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.949 0.374 . . . . 0.0 111.473 176.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.56 115.04 0.05 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 114.867 0.707 . . . . 0.0 114.867 172.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -145.92 14.71 1.35 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.663 0.268 . . . . 0.0 110.928 173.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 19.9 t -101.68 123.33 45.49 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.463 -173.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -84.44 -34.35 23.49 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.557 -175.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -105.01 118.79 37.41 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.241 0.543 . . . . 0.0 110.959 -178.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.575 ' HA ' ' HB3' ' A' ' 71' ' ' ALA . 32.0 mt -72.49 -12.77 61.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.176 -177.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.77 -47.96 87.66 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.588 -0.815 . . . . 0.0 111.566 174.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.023 HD13 HD22 ' A' ' 47' ' ' LEU . 35.1 mt -72.22 -44.87 62.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.409 . . . . 0.0 110.731 174.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.575 ' HB3' ' HA ' ' A' ' 68' ' ' LEU . . . -57.11 -28.52 62.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.756 -178.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.22 -46.39 89.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.135 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.519 ' HG3' ' O ' ' A' ' 70' ' ' LEU . 3.4 ppp? -74.01 -28.79 61.62 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.144 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.448 ' O ' HG23 ' A' ' 78' ' ' VAL . 74.4 t -69.01 -41.2 81.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.933 0.397 . . . . 0.0 110.171 176.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -60.8 -34.38 74.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.546 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -59.04 -40.34 84.75 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.036 0.446 . . . . 0.0 110.31 175.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.5 mt -69.89 -43.33 79.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.156 177.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.47 HG22 ' HA ' ' A' ' 59' ' ' VAL . 67.6 t -61.5 -38.75 80.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.812 179.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.93 -36.7 82.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.96 177.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -71.58 -36.3 70.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.328 177.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.467 ' O ' HG23 ' A' ' 85' ' ' VAL . 64.0 t30 -70.08 -34.93 73.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.804 178.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 tt -53.95 -43.94 70.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.873 -176.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.649 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 11.9 p -67.97 -31.02 70.46 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.72 0.295 . . . . 0.0 110.879 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.52 ' HA ' HD12 ' A' ' 87' ' ' LEU . 27.4 mtpp -69.04 -33.82 74.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.051 0.453 . . . . 0.0 110.23 177.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 81' ' ' ASN . 60.9 t -67.49 -39.66 82.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.385 178.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 83' ' ' SER . 12.9 ptm180 -78.04 -23.3 48.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.703 -178.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.649 ' HG ' ' O ' ' A' ' 83' ' ' SER . 74.5 mt -61.5 -58.96 6.06 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.885 0.374 . . . . 0.0 110.244 174.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.363 178.826 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.8 ttp . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 120.705 0.288 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.417 ' HD1' ' HG2' ' A' ' 6' ' ' GLN . 54.9 m-85 -119.14 136.87 53.96 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 172.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 68.0 p -98.85 -174.04 2.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.814 -0.176 . . . . 0.0 110.579 -174.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.54 -32.84 67.49 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.724 0.297 . . . . 0.0 111.432 -177.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -60.46 -50.15 74.72 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 177.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.417 ' HG2' ' HD1' ' A' ' 2' ' ' TYR . 26.7 mp0 -70.19 -37.82 75.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.048 178.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -56.17 -40.27 73.64 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.829 0.347 . . . . 0.0 110.979 178.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.421 ' O ' ' HD1' ' A' ' 12' ' ' TRP . . . -61.44 -47.06 87.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.994 178.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -62.35 -36.96 83.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.074 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 6' ' ' GLN . 81.5 mt -64.62 -44.74 96.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.022 0.439 . . . . 0.0 110.065 177.232 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.638 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 87.5 tttt -63.03 -37.16 86.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.714 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.421 ' HD1' ' O ' ' A' ' 8' ' ' ALA . 11.6 m95 -62.76 -25.18 68.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.542 178.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.83 -29.94 23.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.073 178.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 58.2 m -73.31 -46.06 51.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.982 0.42 . . . . 0.0 110.882 -179.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.638 ' HG3' ' O ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -97.72 -174.25 2.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.881 177.564 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.403 ' HB3' ' O ' ' A' ' 15' ' ' ARG . 61.7 ttp180 74.07 -39.44 0.43 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.075 0.55 . . . . 0.0 110.79 -177.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -86.49 -111.47 0.85 Allowed Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 121.297 -0.478 . . . . 0.0 112.204 177.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.591 ' HG2' HD23 ' A' ' 21' ' ' LEU . 54.6 tpp -92.65 96.73 10.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.056 0.455 . . . . 0.0 111.146 -176.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 72.2 mt -73.94 -21.3 60.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.788 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -60.37 -31.03 69.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.522 176.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.591 HD23 ' HG2' ' A' ' 18' ' ' MET . 4.3 mm? -93.25 -23.59 18.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.825 178.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -54.05 -36.09 62.71 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.186 0.517 . . . . 0.0 110.667 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.8 t -57.95 -35.06 50.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.002 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.1 p -104.32 -33.93 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.759 0.314 . . . . 0.0 111.469 -176.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 63.2 mt -70.63 -46.13 71.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -175.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.568 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 78.9 mmm -59.67 -53.7 63.09 Favored Pre-proline 0 N--CA 1.466 0.354 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -174.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.548 ' HD3' ' HB2' ' A' ' 26' ' ' MET . 50.7 Cg_exo -58.08 -38.71 90.54 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 121.72 1.613 . . . . 0.0 112.279 179.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.514 ' HZ ' ' HB3' ' A' ' 76' ' ' LYS . 55.6 t80 -69.32 -41.98 75.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.569 177.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -58.77 -42.07 88.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.663 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.568 ' HG3' ' O ' ' A' ' 26' ' ' MET . 38.7 mt-10 -54.94 -45.18 74.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.528 0.68 . . . . 0.0 111.12 178.304 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -77.56 -40.76 41.35 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.695 -177.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 38.4 t -83.19 -21.8 33.37 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -173.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -53.49 -50.62 64.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.897 0.379 . . . . 0.0 111.254 -179.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -69.47 -24.37 63.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.074 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.9 t -80.21 -21.3 43.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.304 -173.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.455 ' HB3' ' HB2' ' A' ' 40' ' ' GLU . 80.1 mt -96.53 155.4 16.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.745 0.307 . . . . 0.0 111.055 -178.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 48.3 p -83.31 171.49 13.5 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 172.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.421 ' HA ' HE21 ' A' ' 41' ' ' GLN . 46.4 mm-40 -57.89 -41.9 83.52 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -174.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.27 -45.27 85.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.239 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.455 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . 40.1 mt-10 -64.85 -40.54 95.33 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.31 0.576 . . . . 0.0 110.14 178.127 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.49 ' O ' HG23 ' A' ' 45' ' ' VAL . 6.4 tt0 -56.47 -48.59 76.78 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.767 176.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -69.1 -34.54 75.24 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.856 -177.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -63.5 -43.31 97.62 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.229 178.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -65.47 -42.56 92.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.456 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 41' ' ' GLN . 94.1 t -61.29 -37.94 78.73 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.864 177.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.05 -39.35 78.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 177.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.56 HD12 HD22 ' A' ' 70' ' ' LEU . 6.1 tt -64.37 -39.44 93.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.431 178.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.5 mt -63.14 -22.69 67.03 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -174.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -80.22 -13.85 58.9 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.114 178.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.1 t -96.95 -172.07 2.37 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.974 -178.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.609 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 7.4 m-20 -87.6 175.19 8.03 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 177.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.576 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 9.5 p-10 -121.18 51.61 2.57 Favored Pre-proline 0 CA--C 1.543 0.693 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -179.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.609 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 1.6 Cg_endo -83.82 -54.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.061 1.841 . . . . 0.0 110.713 176.112 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.45 ' O ' ' HD1' ' A' ' 58' ' ' TRP . 2.4 m-20 -59.65 -41.58 90.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.981 175.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.53 ' O ' HG23 ' A' ' 59' ' ' VAL . 9.3 tt -58.98 -50.15 75.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.068 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -60.33 -38.26 83.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.185 0.516 . . . . 0.0 110.43 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.6 -40.87 84.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.668 -178.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.479 ' HB2' HG11 ' A' ' 74' ' ' VAL . 21.0 m95 -67.46 -33.32 74.89 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.677 0.275 . . . . 0.0 111.027 179.21 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 55' ' ' LEU . 86.4 t -61.93 -36.5 74.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.051 0.453 . . . . 0.0 110.353 176.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 22.1 mmt -87.13 -18.18 31.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.014 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.11 22.87 31.3 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.623 176.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -114.43 -3.65 13.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.226 0.536 . . . . 0.0 110.206 -178.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -88.24 163.04 32.65 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.653 -0.784 . . . . 0.0 113.635 -170.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -148.75 136.17 20.34 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 176.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 29.8 t -130.09 169.86 14.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.778 0.323 . . . . 0.0 110.994 -172.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -86.14 -42.46 13.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.806 -177.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -117.96 131.58 56.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.401 0.619 . . . . 0.0 110.674 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.5 mt -76.19 -17.54 59.48 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.981 -176.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -59.38 -48.2 87.14 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.635 -0.793 . . . . 0.0 111.973 178.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.56 HD22 HD12 ' A' ' 47' ' ' LEU . 58.2 mt -71.57 -30.95 66.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.993 0.425 . . . . 0.0 110.748 176.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.35 -36.79 83.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.483 ' O ' ' HG3' ' A' ' 76' ' ' LYS . . . -66.79 -27.77 67.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.755 178.127 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 23.6 mmt -64.91 -45.92 83.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.152 0.501 . . . . 0.0 109.833 175.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.521 ' O ' HG23 ' A' ' 78' ' ' VAL . 31.4 t -65.89 -36.73 78.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.387 178.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -54.4 -45.09 72.84 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.913 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.514 ' HB3' ' HZ ' ' A' ' 28' ' ' PHE . 57.4 mttm -67.79 -34.92 77.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.717 -179.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 71.2 mt -63.66 -43.52 98.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.177 175.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 74' ' ' VAL . 72.0 t -62.04 -42.88 96.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.537 178.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.55 -42.23 87.37 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.278 177.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -71.77 -37.03 70.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.16 0.505 . . . . 0.0 110.262 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -60.23 -33.5 72.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.948 178.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.6 tp -53.66 -30.86 45.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.012 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.546 ' HA ' ' HG2' ' A' ' 86' ' ' ARG . 22.6 t -64.49 -41.03 96.7 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.598 176.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -67.77 -33.74 75.44 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 175.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 99.4 t -68.04 -39.98 82.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.044 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.546 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 31.4 ptt85 -77.82 -21.21 51.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.106 0.479 . . . . 0.0 110.885 -178.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 64.8 tp -88.08 -55.03 3.92 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.141 -178.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 C--N 1.324 -0.527 0 CA-C-O 121.115 0.483 . . . . 0.0 111.341 -175.106 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.1 mtt . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 110.619 -0.141 . . . . 0.0 110.619 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -62.5 105.41 0.63 Allowed 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 121.348 0.594 . . . . 0.0 109.575 170.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.4 p -90.29 -174.64 4.24 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.895 -1.048 . . . . 0.0 112.376 -171.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.51 ' HA ' ' HG2' ' A' ' 7' ' ' LYS . . . -59.36 -30.72 68.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.851 175.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -64.35 -49.41 71.78 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 121.351 0.596 . . . . 0.0 109.633 175.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.5 ' O ' HG13 ' A' ' 10' ' ' ILE . 77.6 mm-40 -66.08 -42.92 88.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.062 -175.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.51 ' HG2' ' HA ' ' A' ' 4' ' ' ALA . 20.9 ptmt -61.57 -33.42 73.84 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.582 -179.347 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.88 -41.25 71.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.937 0.399 . . . . 0.0 110.201 177.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -62.69 -32.7 73.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.277 176.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 6' ' ' GLN . 78.3 mt -65.45 -43.21 94.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.596 174.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.606 ' HD3' ' O ' ' A' ' 11' ' ' LYS . 2.3 tmtp? -56.95 -35.26 68.89 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.553 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -58.1 -32.98 68.61 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.972 176.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.69 40.54 1.47 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.983 0.42 . . . . 0.0 110.575 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 3.7 p -61.48 -24.81 66.83 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.892 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.784 HH21 ' HA ' ' A' ' 49' ' ' GLU . 36.0 mmt180 75.22 163.36 0.26 Allowed 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.353 0.661 . . . . 0.0 111.545 178.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -122.31 109.95 15.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.946 -177.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -134.81 -60.07 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.374 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.44 ' HG3' ' H ' ' A' ' 20' ' ' GLU . 12.3 tpt -162.44 142.21 9.55 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -178.048 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.6 mt -61.39 -36.36 80.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 111.087 -178.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.476 ' O ' HG23 ' A' ' 24' ' ' VAL . 27.7 mm-40 -64.81 -42.64 94.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.69 175.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.547 ' O ' HG12 ' A' ' 25' ' ' ILE . 4.4 tt -69.13 -36.88 77.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.283 -174.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -57.47 -43.73 84.27 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.506 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.13 -22.45 30.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.205 -178.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 20' ' ' GLU . 5.0 t -93.31 1.65 9.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.265 0.555 . . . . 0.0 110.293 -179.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.547 HG12 ' O ' ' A' ' 21' ' ' LEU . 46.2 mm -104.09 -65.43 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.602 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.717 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 34.7 tpp -68.56 -53.53 16.49 Favored Pre-proline 0 CA--C 1.535 0.385 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -170.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.717 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 31.0 Cg_exo -63.39 -29.25 71.91 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 121.699 1.6 . . . . 0.0 111.796 176.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.533 ' HZ ' ' HB3' ' A' ' 76' ' ' LYS . 70.7 t80 -69.85 -36.38 75.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.388 176.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -56.9 -41.07 77.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.219 177.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -55.53 -45.2 77.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.967 178.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -71.05 -51.28 26.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.961 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.0 t -70.02 -31.66 69.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.799 -170.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -53.93 -36.78 63.15 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 122.396 0.278 . . . . 0.0 111.667 -177.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -68.61 -20.23 64.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.022 0.439 . . . . 0.0 111.034 -178.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.1 m -107.2 -6.48 17.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.365 -178.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.429 ' HB3' ' HG3' ' A' ' 41' ' ' GLN . 66.5 mt -89.43 143.13 27.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.105 0.478 . . . . 0.0 111.47 -178.077 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.6 p -108.63 164.98 11.88 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.498 172.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -54.62 -38.1 66.42 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.97 0.414 . . . . 0.0 110.982 -179.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 m -57.6 -49.72 75.49 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.09 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -71.88 -39.14 69.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 178.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.483 ' O ' HG23 ' A' ' 45' ' ' VAL . 49.9 mt-30 -61.6 -39.76 92.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.678 -177.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -64.07 -45.56 88.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.937 0.399 . . . . 0.0 110.9 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -65.03 -35.78 82.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.674 178.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -68.23 -44.19 76.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.278 178.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 41' ' ' GLN . 73.7 t -62.99 -41.5 93.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.777 0.322 . . . . 0.0 110.517 178.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.61 -33.43 72.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.145 0.497 . . . . 0.0 110.744 176.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.547 ' HB2' HD22 ' A' ' 70' ' ' LEU . 54.7 tp -67.47 -38.15 83.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.09 177.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.0 mt -71.38 -18.22 62.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 112.074 -175.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.784 ' HA ' HH21 ' A' ' 15' ' ' ARG . 38.3 mt-10 -85.8 -12.59 50.54 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.652 0.242 . . . . 0.0 111.652 177.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.2 m -71.82 178.56 3.59 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.225 0.536 . . . . 0.0 111.504 -178.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -83.69 12.0 6.53 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.712 0.768 . . . . 0.0 110.001 177.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.569 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 10.5 m-20 50.82 52.43 12.28 Favored Pre-proline 0 CA--C 1.532 0.256 0 CA-C-N 114.601 -1.181 . . . . 0.0 112.35 -176.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.569 ' HD3' ' N ' ' A' ' 52' ' ' ASP . 5.2 Cg_endo -87.4 -56.67 0.02 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 121.873 1.716 . . . . 0.0 111.578 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.5 ' HB2' ' HB3' ' A' ' 65' ' ' CYS . 23.4 p-10 -70.5 -32.87 70.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.069 176.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.507 ' O ' HG23 ' A' ' 59' ' ' VAL . 6.9 tt -60.85 -50.57 72.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.682 175.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -63.8 -38.14 89.98 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.999 0.428 . . . . 0.0 110.494 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.594 ' HB1' ' HA3' ' A' ' 63' ' ' GLY . . . -57.35 -47.29 82.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.946 -178.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.506 ' HB2' HG11 ' A' ' 74' ' ' VAL . 31.1 m95 -74.71 -28.58 60.86 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.725 -176.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 55' ' ' LEU . 91.8 t -59.29 -42.77 88.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 120.907 0.384 . . . . 0.0 110.338 175.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 87.6 mtp -87.22 -20.05 27.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.583 178.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.16 33.36 17.84 Favored Glycine 0 C--N 1.331 0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.647 177.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -156.58 97.55 1.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 122.399 0.28 . . . . 0.0 110.529 -175.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.594 ' HA3' ' HB1' ' A' ' 57' ' ' ALA . . . 160.05 -31.53 0.4 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.359 -0.924 . . . . 0.0 113.43 174.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 62.76 -175.64 0.15 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.07 0.462 . . . . 0.0 111.452 -177.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.5 ' HB3' ' HB2' ' A' ' 54' ' ' ASP . 25.1 p -149.34 -178.25 6.3 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.369 -178.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -94.52 -35.74 12.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.251 0.548 . . . . 0.0 110.168 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -118.79 120.56 37.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.063 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.0 mt -70.52 -17.92 62.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.812 179.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.58 -47.15 91.48 Favored Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 174.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.547 HD22 ' HB2' ' A' ' 47' ' ' LEU . 99.0 mt -58.03 -43.85 86.99 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.199 0.523 . . . . 0.0 109.951 174.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.476 ' HB2' ' SG ' ' A' ' 65' ' ' CYS . . . -65.6 -26.01 67.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.433 -179.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.49 ' O ' ' HG3' ' A' ' 76' ' ' LYS . . . -62.94 -43.0 99.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.594 179.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 5.1 mpp? -69.08 -39.29 79.15 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.673 176.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.521 ' O ' HG23 ' A' ' 78' ' ' VAL . 46.0 t -62.5 -40.68 89.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.85 0.357 . . . . 0.0 110.598 178.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -60.64 -38.51 85.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.596 177.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.533 ' HB3' ' HZ ' ' A' ' 28' ' ' PHE . 97.6 mttt -61.99 -40.45 95.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.73 176.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 78.3 mt -63.36 -46.6 95.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.271 176.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 74' ' ' VAL . 84.1 t -56.79 -34.61 43.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.124 178.651 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.69 -46.5 88.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.813 0.34 . . . . 0.0 111.052 178.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -67.73 -36.1 79.96 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.607 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 58.0 t30 -63.64 -48.01 78.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.383 177.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.0 tt -57.57 -37.12 72.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.284 0.564 . . . . 0.0 109.633 177.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.503 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 21.9 t -63.58 -43.48 96.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.169 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.607 ' HG2' ' O ' ' A' ' 81' ' ' ASN . 11.7 ptmm? -69.38 -26.08 64.48 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.491 -0.483 . . . . 0.0 109.996 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 81' ' ' ASN . 95.2 t -74.93 -46.36 40.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.688 177.233 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.503 ' HG3' ' O ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -66.21 -23.3 66.41 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.136 0.493 . . . . 0.0 111.041 -179.495 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.425 ' N ' ' HD3' ' A' ' 86' ' ' ARG . 60.2 tp -70.45 -38.68 74.54 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.004 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 . . . . . 0 C--N 1.329 -0.306 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -176.075 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.2 tpp . . . . . 0 N--CA 1.478 0.957 0 CA-C-O 120.804 0.335 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.625 ' HE1' ' HE3' ' A' ' 7' ' ' LYS . 3.9 p90 -85.3 164.69 17.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.434 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.3 p -102.63 -171.84 2.03 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.894 -175.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 7' ' ' LYS . . . -57.35 -34.39 68.76 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.742 -176.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.4 -36.75 83.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.722 0.296 . . . . 0.0 111.419 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -70.45 -35.63 73.45 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 176.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.625 ' HE3' ' HE1' ' A' ' 2' ' ' TYR . 32.5 mmtp -59.48 -32.67 70.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.807 176.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.04 -36.41 72.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.837 -178.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -62.45 -42.43 99.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.258 0.552 . . . . 0.0 109.935 177.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 64.6 mt -65.66 -43.29 93.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.963 176.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -54.56 -36.48 64.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.834 -1.076 . . . . 0.0 111.772 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -66.42 -25.4 66.74 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -179.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.37 -49.92 3.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.966 0.412 . . . . 0.0 111.477 -177.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 84.6 m -63.31 -23.87 67.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.271 -177.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -51.1 -33.66 27.14 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.738 0.304 . . . . 0.0 111.106 177.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 16' ' ' ARG . 20.6 ttm-85 -101.17 -48.24 4.47 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 173.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.428 ' O ' ' HB3' ' A' ' 18' ' ' MET . . . 87.68 -29.62 5.31 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.627 -0.715 . . . . 0.0 113.338 174.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.428 ' HB3' ' O ' ' A' ' 17' ' ' GLY . 14.0 ttt 66.02 100.97 0.04 OUTLIER 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -173.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.7 mt -54.84 -30.69 58.17 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -167.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -68.19 -20.32 64.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.824 0.345 . . . . 0.0 111.315 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 21' ' ' LEU . 26.5 mt -120.8 -30.27 4.48 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.062 -175.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -53.07 -44.16 67.27 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.355 0.662 . . . . 0.0 112.224 -176.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.7 m -66.63 -13.53 16.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.112 -176.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.8 t -106.67 -46.34 8.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.938 0.399 . . . . 0.0 110.78 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 62.1 mt -67.02 -46.7 84.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.169 -175.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.425 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 43.9 ttm -57.58 -54.39 55.56 Favored Pre-proline 0 CA--C 1.536 0.425 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -173.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.425 ' HD2' ' N ' ' A' ' 26' ' ' MET . 28.4 Cg_endo -63.87 -37.05 46.85 Favored 'Trans proline' 0 C--N 1.357 0.977 0 C-N-CA 121.781 1.654 . . . . 0.0 112.138 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -60.7 -47.61 85.48 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.236 178.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.404 ' O ' ' HB2' ' A' ' 33' ' ' PHE . 81.6 t80 -58.67 -48.83 79.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.786 -178.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -59.21 -45.34 91.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.117 0.484 . . . . 0.0 111.548 -177.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -72.92 -51.61 17.83 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.362 -0.835 . . . . 0.0 112.01 -177.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.47 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 6.9 t -83.2 -19.87 35.71 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -167.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.404 ' HB2' ' O ' ' A' ' 29' ' ' PHE . 86.1 t80 -50.88 -38.42 49.47 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.852 0.358 . . . . 0.0 111.749 -177.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -65.83 -21.99 66.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.254 0.549 . . . . 0.0 111.461 -179.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.0 m -113.65 1.51 14.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.441 -176.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 70.7 mt -89.63 135.17 33.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.854 0.359 . . . . 0.0 110.86 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.9 161.16 25.72 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -64.02 -34.83 78.9 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -174.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.1 m -56.63 -47.58 79.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.979 0.419 . . . . 0.0 110.314 172.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -61.81 -38.65 88.92 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.359 0.6 . . . . 0.0 110.207 177.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.411 ' O ' HG23 ' A' ' 45' ' ' VAL . 78.5 mt-30 -65.41 -39.07 91.71 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.993 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -66.09 -45.48 81.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.778 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -59.95 -36.47 77.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.517 176.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -62.51 -43.53 98.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.705 177.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 41' ' ' GLN . 92.2 t -66.23 -48.19 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.406 178.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.76 -37.97 77.42 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.014 178.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 30.1 tp -54.94 -50.4 68.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.567 176.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.1 mt -67.05 -27.77 67.66 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.026 -172.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -79.65 -14.21 58.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.618 0.247 . . . . 0.0 111.259 179.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.9 m -101.76 150.75 22.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.218 0.532 . . . . 0.0 111.955 -172.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -93.76 103.22 15.36 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 172.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 1.067 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . 53.1 m-20 -125.2 85.7 57.85 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -170.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -75.61 -35.6 2.65 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.872 2.382 . . . . 0.0 111.454 174.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.435 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 10.2 p-10 -69.7 -32.11 70.5 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.199 0.523 . . . . 0.0 109.753 178.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.067 ' HB2' ' HB3' ' A' ' 52' ' ' ASP . 0.7 OUTLIER -70.09 -35.96 74.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.259 175.89 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -57.83 -30.59 65.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.339 0.59 . . . . 0.0 110.153 174.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 54' ' ' ASP . . . -67.02 -21.92 65.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.165 176.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.492 ' HE1' ' HA ' ' A' ' 64' ' ' ARG . 14.3 m95 -78.0 -30.96 50.35 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.423 174.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.5 t -58.61 -34.84 52.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.377 175.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 23.3 ptm -96.8 -9.57 28.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.723 177.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.36 35.91 36.02 Favored Glycine 0 CA--C 1.52 0.349 0 CA-C-N 116.002 -0.545 . . . . 0.0 114.045 173.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -135.79 18.91 3.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 117.168 0.484 . . . . 0.0 111.728 -178.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -128.71 -178.97 15.63 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 119.913 -1.136 . . . . 0.0 113.079 -176.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.492 ' HA ' ' HE1' ' A' ' 58' ' ' TRP . 12.9 mmt180 -138.53 148.52 44.35 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 122.449 0.3 . . . . 0.0 110.256 176.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 96.9 m -135.0 159.43 41.54 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.329 -177.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -77.45 -36.47 52.97 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -174.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.403 ' ND2' ' HG ' ' A' ' 70' ' ' LEU . 20.5 p-10 -111.7 113.67 26.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.502 0.668 . . . . 0.0 110.48 178.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.2 mt -71.93 -12.3 61.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.818 -176.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.63 -47.47 88.22 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.39 173.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.604 ' HB3' HD11 ' A' ' 55' ' ' LEU . 30.1 mt -66.1 -39.79 90.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.114 0.483 . . . . 0.0 110.499 176.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.59 -39.54 91.56 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.395 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.37 -44.18 97.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.113 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.522 ' O ' HG13 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -61.06 -47.08 88.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.598 177.873 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.735 HG21 HD22 ' A' ' 55' ' ' LEU . 97.3 t -64.83 -40.54 89.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.331 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -55.54 -42.46 74.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.281 0.562 . . . . 0.0 110.771 178.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -68.26 -34.46 76.25 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.737 178.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 73' ' ' MET . 68.7 mt -65.03 -43.78 96.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.976 0.417 . . . . 0.0 110.072 175.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 74' ' ' VAL . 88.3 t -59.91 -41.61 86.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.649 178.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.34 -36.95 74.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.083 177.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -72.59 -37.17 68.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.155 0.502 . . . . 0.0 110.597 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -67.11 -35.51 79.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.6 179.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.4 tt -54.21 -38.79 66.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.011 178.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.57 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 19.4 m -62.9 -42.25 99.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 177.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -63.04 -33.59 75.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.788 0.328 . . . . 0.0 110.975 178.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 58.5 t -75.16 -33.49 28.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.255 0.55 . . . . 0.0 110.639 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.506 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 27.0 ptt180 -83.46 -7.14 59.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.139 0.495 . . . . 0.0 110.292 179.13 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 83' ' ' SER . 56.0 mt -84.43 -77.6 0.26 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.286 174.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 . . . . . 0 C--N 1.328 -0.339 0 N-CA-C 111.705 0.261 . . . . 0.0 111.705 -174.209 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ttt . . . . . 0 N--CA 1.478 0.957 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.433 ' HD2' ' HB3' ' A' ' 6' ' ' GLN . 55.9 m-85 -69.18 97.07 0.88 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.586 0.707 . . . . 0.0 110.046 171.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.6 p -104.68 -161.62 0.83 Allowed 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.561 -173.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.71 -39.81 65.54 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -175.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -61.04 -45.35 95.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.475 0.655 . . . . 0.0 110.078 178.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.461 ' HA ' ' HG2' ' A' ' 9' ' ' ARG . 13.4 mm100 -70.3 -32.16 69.81 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.973 -179.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.1 mttt -64.01 -33.71 76.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.712 0.291 . . . . 0.0 110.688 174.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.95 -36.85 84.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.869 0.366 . . . . 0.0 110.351 175.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.461 ' HG2' ' HA ' ' A' ' 6' ' ' GLN . 22.4 mmt180 -63.03 -39.11 93.78 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.454 0.645 . . . . 0.0 109.501 176.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 64.1 mt -64.57 -42.17 94.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.321 177.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -56.02 -36.98 68.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.027 178.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 19.0 m95 -64.26 -37.65 88.22 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.92 0.391 . . . . 0.0 111.187 176.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.97 -38.91 72.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.652 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 58.0 m -67.49 -42.19 83.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.054 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.419 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 28.3 ttt180 -85.04 31.01 0.56 Allowed 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.467 0.651 . . . . 0.0 110.39 178.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -61.57 -41.33 97.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.434 174.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 156.48 -27.73 0.55 Allowed Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.381 -176.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.4 tpt -78.44 68.15 4.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.486 0.66 . . . . 0.0 109.705 176.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.564 ' HA ' ' HB3' ' A' ' 22' ' ' ASP . 85.3 mt -64.77 -22.64 67.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.41 -176.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -56.75 -33.97 67.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.552 176.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.508 ' HA ' HG22 ' A' ' 24' ' ' VAL . 75.9 mt -96.04 -31.55 12.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.663 178.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.564 ' HB3' ' HA ' ' A' ' 19' ' ' LEU . 15.5 t70 -48.58 -44.73 37.12 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.186 0.517 . . . . 0.0 111.794 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.486 HG23 HG13 ' A' ' 24' ' ' VAL . 27.7 m -76.95 -11.17 13.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -176.171 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.508 HG22 ' HA ' ' A' ' 21' ' ' LEU . 33.1 m -116.14 -18.82 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -177.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 21' ' ' LEU . 69.2 mt -70.29 -39.92 77.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 O-C-N 122.13 -0.356 . . . . 0.0 111.209 -179.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.498 ' HA ' ' CE ' ' A' ' 26' ' ' MET . 19.1 mmt -54.91 -53.83 56.63 Favored Pre-proline 0 CA--C 1.538 0.512 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -174.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' A' ' 26' ' ' MET . 18.7 Cg_endo -60.25 -43.99 31.43 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 121.798 1.665 . . . . 0.0 112.582 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.428 ' HD1' ' O ' ' A' ' 24' ' ' VAL . 55.9 m-85 -66.49 -39.44 88.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.826 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.514 ' HZ ' HE21 ' A' ' 41' ' ' GLN . 91.3 t80 -58.29 -48.45 80.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.509 177.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.81 -45.52 92.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.854 -177.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.487 ' HG3' ' N ' ' A' ' 32' ' ' CYS . 2.5 pt-20 -73.56 -45.34 53.95 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.958 -179.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.487 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 83.3 m -72.12 -32.34 66.86 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 122.431 -0.168 . . . . 0.0 111.246 -175.409 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -56.3 -33.38 65.49 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.025 0.44 . . . . 0.0 110.877 178.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -57.7 -26.06 61.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.973 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.2 p -109.68 -20.08 12.95 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.653 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.6 mt -96.45 118.72 33.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.832 0.349 . . . . 0.0 110.113 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.77 174.89 11.12 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.988 -174.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.26 -36.63 84.31 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -174.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.5 m -57.39 -38.89 75.0 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.258 0.551 . . . . 0.0 110.391 174.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -71.37 -45.72 62.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.887 177.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.514 HE21 ' HZ ' ' A' ' 29' ' ' PHE . 52.9 tt0 -57.18 -42.19 80.69 Favored 'General case' 0 N--CA 1.433 -1.286 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.637 178.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -57.86 -41.01 81.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.263 -177.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -69.28 -41.06 77.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.261 0.553 . . . . 0.0 109.863 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -63.89 -46.15 86.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.252 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 41' ' ' GLN . 85.0 t -61.79 -42.01 92.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.378 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.89 -34.41 67.87 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.331 177.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.436 HD22 HD13 ' A' ' 70' ' ' LEU . 56.4 tp -67.98 -44.53 76.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.037 177.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.0 mt -64.32 -22.07 66.83 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 112.08 -175.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -71.69 -18.64 62.16 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.162 0.506 . . . . 0.0 110.816 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.8 m -109.13 -162.76 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.556 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.424 ' HB3' ' HD3' ' A' ' 53' ' ' PRO . 1.0 OUTLIER -71.23 164.88 24.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.02 0.438 . . . . 0.0 110.527 174.178 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -121.14 52.88 3.16 Favored Pre-proline 0 C--N 1.32 -0.707 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -175.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.424 ' HD3' ' HB3' ' A' ' 51' ' ' ASP . 71.1 Cg_endo -78.64 -34.89 1.23 Allowed 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 121.424 1.416 . . . . 0.0 111.332 178.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.01 -46.35 89.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.591 177.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.426 ' O ' HG23 ' A' ' 59' ' ' VAL . 2.9 tt -66.19 -49.8 66.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.575 -179.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -58.21 -48.06 81.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.783 -178.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.22 -34.36 70.73 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -174.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 24.9 m95 -83.56 -27.52 29.23 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.366 -0.534 . . . . 0.0 112.186 -175.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.517 ' HA ' HG22 ' A' ' 78' ' ' VAL . 52.9 t -62.02 -41.93 92.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 121.037 0.446 . . . . 0.0 110.631 173.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 67.8 mtm -83.15 -20.42 34.77 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.226 176.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.31 51.08 4.05 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 121.022 -0.609 . . . . 0.0 113.09 174.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -162.96 91.72 0.74 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.658 -0.319 . . . . 0.0 110.395 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 160.01 176.48 32.14 Favored Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.019 178.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -107.6 167.61 9.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.94 0.4 . . . . 0.0 110.736 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 44.9 t -155.54 144.2 20.43 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 176.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -84.0 -37.72 21.84 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.086 0.47 . . . . 0.0 110.625 -177.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.416 ' HB2' HD12 ' A' ' 70' ' ' LEU . 93.0 m-20 -102.17 105.39 16.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.548 -178.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.7 mt -74.93 -19.53 60.09 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.919 -178.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.01 -42.63 99.74 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.558 174.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.606 ' O ' ' HG3' ' A' ' 73' ' ' MET . 85.9 mt -62.73 -47.93 81.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.079 0.466 . . . . 0.0 110.275 173.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.76 -31.35 68.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.09 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.477 ' O ' ' HG3' ' A' ' 76' ' ' LYS . . . -62.2 -45.33 93.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.21 179.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.606 ' HG3' ' O ' ' A' ' 70' ' ' LEU . 4.2 ppp? -74.03 -28.89 61.65 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.56 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.521 ' O ' HG23 ' A' ' 78' ' ' VAL . 86.9 t -67.21 -40.76 85.77 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 176.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -55.06 -38.28 67.84 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.968 177.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 72' ' ' ALA . 54.6 mttm -66.4 -34.2 77.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.573 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 71.6 mt -71.25 -42.53 74.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.911 174.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 74' ' ' VAL . 93.9 t -58.65 -34.42 51.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.918 179.055 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.9 -42.88 76.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.992 178.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.426 ' HB2' ' HE2' ' A' ' 28' ' ' PHE . 69.6 m-70 -66.38 -42.76 87.48 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 120.884 0.373 . . . . 0.0 110.52 177.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.485 ' O ' HG23 ' A' ' 85' ' ' VAL . 27.3 t-20 -63.59 -43.63 96.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.437 -179.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.2 tt -63.11 -39.84 95.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.857 178.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.0 t -63.68 -38.12 89.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.206 177.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -58.62 -40.99 84.91 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.881 0.372 . . . . 0.0 110.353 174.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 81' ' ' ASN . 58.4 t -66.07 -42.48 91.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.835 -178.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -75.81 -24.97 55.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.023 0.439 . . . . 0.0 110.536 -179.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 64.0 tp -76.33 -45.45 32.17 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.44 178.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 N--CA 1.454 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.883 176.149 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.5 mtp . . . . . 0 N--CA 1.484 1.226 0 CA-C-O 120.933 0.397 . . . . 0.0 111.752 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.23 123.41 40.71 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 173.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.3 p -126.29 -170.36 2.18 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -171.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.21 -37.35 72.08 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -174.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -60.56 -44.13 96.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.231 0.538 . . . . 0.0 110.532 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.617 ' HA ' ' HD3' ' A' ' 9' ' ' ARG . 23.5 mp0 -66.59 -33.38 75.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.726 177.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.554 ' HA ' HD12 ' A' ' 10' ' ' ILE . 93.7 mttt -65.21 -34.84 79.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.666 0.269 . . . . 0.0 110.922 177.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.483 ' O ' ' HD1' ' A' ' 12' ' ' TRP . . . -62.24 -38.13 88.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.612 178.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.617 ' HD3' ' HA ' ' A' ' 6' ' ' GLN . 40.7 mtp180 -62.14 -37.83 86.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.94 177.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.66 HD13 ' HZ ' ' A' ' 29' ' ' PHE . 56.6 mt -66.03 -43.27 92.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.382 177.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -55.47 -35.37 65.44 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.698 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.555 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 15.8 m95 -58.95 -40.4 84.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.474 0.178 . . . . 0.0 111.354 177.401 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.19 -21.86 62.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.086 0.469 . . . . 0.0 111.155 -178.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 45.1 m -73.23 -22.14 60.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.808 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.555 ' HB2' ' O ' ' A' ' 12' ' ' TRP . 1.4 mpt_? -53.8 172.35 0.08 Allowed 'General case' 0 C--O 1.233 0.223 0 N-CA-C 113.515 0.932 . . . . 0.0 113.515 -174.233 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -64.74 118.83 9.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.787 -1.097 . . . . 0.0 111.534 -171.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -165.35 -48.82 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.751 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.426 178.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.685 ' HG2' ' HG ' ' A' ' 21' ' ' LEU . 23.4 tpp -144.78 95.45 2.7 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.4 mt -66.97 -26.25 66.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.116 0.484 . . . . 0.0 110.884 -177.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -62.86 -31.09 72.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.023 178.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.685 ' HG ' ' HG2' ' A' ' 18' ' ' MET . 86.7 mt -92.18 -19.19 22.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.893 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -55.86 -45.81 78.39 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.313 -178.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.2 m -81.11 -10.58 12.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.077 -176.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 52.6 t -98.82 -46.59 12.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 120.763 0.316 . . . . 0.0 110.92 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 75.7 mt -84.03 -52.01 13.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.872 -174.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.668 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 53.1 ttp -57.82 -53.64 63.67 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -172.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.668 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 32.3 Cg_exo -60.34 -36.85 85.78 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 121.864 1.709 . . . . 0.0 111.994 179.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -65.66 -42.92 90.77 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.911 0.386 . . . . 0.0 110.188 177.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.66 ' HZ ' HD13 ' A' ' 10' ' ' ILE . 87.9 t80 -57.12 -48.9 77.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.262 178.209 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 26' ' ' MET . 9.1 mt-10 -61.86 -35.25 77.76 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.016 0.436 . . . . 0.0 111.131 -179.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -68.12 -52.39 35.4 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.723 176.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.409 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 12.5 t -82.51 -26.98 32.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.127 -169.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -53.34 -35.58 60.37 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 122.776 0.43 . . . . 0.0 111.203 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -61.62 -34.64 76.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.731 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.2 t -88.24 -40.87 13.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.055 -177.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 71.3 mt -64.68 136.19 56.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.545 -175.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.513 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 36.3 p -81.71 164.82 21.49 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 170.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -50.9 -41.4 58.45 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -175.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.0 m -60.52 -45.25 94.52 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.616 0.246 . . . . 0.0 111.576 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -66.22 -40.15 90.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.59 0.709 . . . . 0.0 109.739 177.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.538 ' O ' HG23 ' A' ' 45' ' ' VAL . 96.3 mt-30 -61.7 -44.22 97.34 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.711 178.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -64.16 -44.54 91.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.607 -174.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.3 -39.81 88.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.024 0.44 . . . . 0.0 110.657 176.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.468 ' CE1' HD11 ' A' ' 77' ' ' ILE . 45.5 t80 -68.02 -40.84 82.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.495 178.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 41' ' ' GLN . 85.9 t -64.08 -39.25 84.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-O 120.715 0.293 . . . . 0.0 110.601 177.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.24 -36.0 72.55 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.508 176.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.739 HD21 HD13 ' A' ' 70' ' ' LEU . 78.6 mt -67.19 -39.23 86.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.972 175.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.5 mt -71.0 -37.66 72.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.174 -175.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -83.27 -14.1 53.82 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.845 0.355 . . . . 0.0 111.195 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.4 t -84.17 -169.79 2.77 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 176.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.599 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 7.5 t70 -84.94 166.93 16.38 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 175.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.516 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 11.7 p-10 -119.8 53.12 2.42 Favored Pre-proline 0 CA--C 1.541 0.601 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -174.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.599 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 6.2 Cg_endo -86.64 -55.32 0.02 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 121.605 1.537 . . . . 0.0 111.321 176.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -69.96 -32.74 71.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.371 176.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.412 ' O ' HG23 ' A' ' 59' ' ' VAL . 5.4 tt -66.13 -49.9 65.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.707 178.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.421 ' HB2' ' O ' ' A' ' 52' ' ' ASP . 41.6 t80 -61.13 -33.01 72.7 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.124 0.488 . . . . 0.0 110.427 178.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.887 ' HB1' ' HA3' ' A' ' 63' ' ' GLY . . . -62.37 -37.41 85.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.746 -177.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.451 ' HB2' HG11 ' A' ' 74' ' ' VAL . 29.6 m95 -78.52 -31.63 47.68 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.047 178.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.544 ' HA ' HG22 ' A' ' 78' ' ' VAL . 81.5 t -62.84 -40.1 87.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.934 0.397 . . . . 0.0 110.692 177.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 24.3 mmt -90.96 -11.2 39.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.247 178.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.08 34.47 70.36 Favored Glycine 0 C--O 1.227 -0.285 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.687 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -126.34 24.57 6.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.155 0.503 . . . . 0.0 110.109 -173.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.887 ' HA3' ' HB1' ' A' ' 57' ' ' ALA . . . -165.28 179.41 39.78 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.396 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 44.2 mtm180 -140.19 172.2 13.08 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 122.35 0.26 . . . . 0.0 110.395 -178.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.657 ' SG ' ' HB2' ' A' ' 71' ' ' ALA . 25.7 p -142.04 171.49 13.98 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 173.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -85.64 -34.32 21.38 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -173.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.481 HD21 HD12 ' A' ' 70' ' ' LEU . 14.8 p-10 -111.33 118.14 35.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.502 0.668 . . . . 0.0 111.309 -177.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.545 ' HA ' ' HB3' ' A' ' 71' ' ' ALA . 54.2 mt -75.0 -14.57 60.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.063 -175.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.79 -47.13 91.47 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.439 -0.886 . . . . 0.0 111.293 175.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.739 HD13 HD21 ' A' ' 47' ' ' LEU . 15.7 mt -71.25 -35.87 71.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.879 0.371 . . . . 0.0 110.415 174.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.657 ' HB2' ' SG ' ' A' ' 65' ' ' CYS . . . -60.64 -38.94 86.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.368 179.097 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.465 ' O ' ' HG3' ' A' ' 76' ' ' LYS . . . -58.8 -37.01 75.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 90.7 mmm -64.83 -44.55 89.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.381 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.491 ' O ' HG23 ' A' ' 78' ' ' VAL . 21.7 t -68.94 -37.1 76.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.611 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -58.92 -40.29 84.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.647 177.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 72' ' ' ALA . 44.5 mtpt -64.92 -34.24 77.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.536 177.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.468 HD11 ' CE1' ' A' ' 44' ' ' PHE . 60.6 mt -61.58 -45.72 98.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 173.514 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.544 HG22 ' HA ' ' A' ' 59' ' ' VAL . 45.2 t -60.81 -41.1 87.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.851 179.334 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.13 -36.67 80.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.019 0.438 . . . . 0.0 110.749 178.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 -63.72 -42.18 97.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.05 176.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.709 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 52.8 t30 -69.93 -47.08 63.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.777 178.31 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 73.3 mt -57.03 -31.19 64.89 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.339 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.624 ' HA ' ' HG2' ' A' ' 86' ' ' ARG . 67.8 m -67.26 -42.98 83.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.489 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.709 ' HG2' ' O ' ' A' ' 81' ' ' ASN . 11.9 ptmm? -70.99 -26.76 63.28 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.373 -0.531 . . . . 0.0 109.838 177.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 81' ' ' ASN . 70.9 t -72.17 -43.2 66.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.926 177.04 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.624 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 25.5 ptt85 -76.19 -17.23 59.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.265 0.555 . . . . 0.0 110.492 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.498 HD22 ' HG3' ' A' ' 88' ' ' GLU . 1.7 tt -72.32 -58.82 3.1 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.493 179.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.498 ' HG3' HD22 ' A' ' 87' ' ' LEU . 47.4 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.779 0.323 . . . . 0.0 111.516 -178.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.3 mmt . . . . . 0 N--CA 1.487 1.393 0 N-CA-C 111.66 0.245 . . . . 0.0 111.66 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -132.77 107.09 8.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.187 0.517 . . . . 0.0 110.719 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.1 p -94.27 -168.51 1.87 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.963 177.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.76 -39.23 76.93 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.915 -178.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -60.6 -42.18 96.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.366 0.603 . . . . 0.0 111.066 -178.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.65 -47.61 77.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.253 -176.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -67.89 -30.47 69.83 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.165 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.47 ' O ' ' HB3' ' A' ' 11' ' ' LYS . . . -62.17 -42.78 99.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.069 177.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.6 mtm-85 -66.6 -32.91 74.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.968 0.413 . . . . 0.0 110.892 176.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.5 mt -65.55 -42.62 93.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.001 173.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 8' ' ' ALA . 23.6 tptm -54.43 -36.27 63.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.358 176.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -66.41 -22.64 66.23 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.764 0.316 . . . . 0.0 111.473 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.45 28.29 4.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.952 0.406 . . . . 0.0 110.749 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 p -59.94 -24.8 64.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.382 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.19 122.87 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.536 0.684 . . . . 0.0 111.943 175.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.545 ' H ' ' HD2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -93.89 128.66 40.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.153 175.029 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 176.09 -51.4 0.12 Allowed Glycine 0 N--CA 1.443 -0.842 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 92.8 mmm -130.85 117.76 19.79 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 176.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.44 ' O ' HG23 ' A' ' 23' ' ' VAL . 86.9 mt -59.8 -32.25 70.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.881 0.372 . . . . 0.0 110.975 -177.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -70.44 -34.93 73.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.217 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.6 mt -72.0 -32.04 66.82 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.022 0.439 . . . . 0.0 110.284 178.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -60.78 -32.4 71.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.557 175.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 19' ' ' LEU . 47.1 t -75.52 -27.3 18.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.861 178.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.545 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 98.9 t -67.35 -48.71 76.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.762 -176.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 58.4 mt -58.26 -37.56 63.63 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -173.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.708 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 50.7 ttp -58.36 -54.54 54.88 Favored Pre-proline 0 CA--C 1.543 0.689 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -170.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.708 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 3.0 Cg_endo -87.8 -31.47 0.21 Allowed 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.137 1.891 . . . . 0.0 113.12 178.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.413 ' CD2' HG23 ' A' ' 77' ' ' ILE . 16.8 m-85 -67.06 -35.57 80.12 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 121.29 -0.164 . . . . 0.0 111.404 -175.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.498 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 67.6 t80 -59.15 -48.36 81.88 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.855 0.359 . . . . 0.0 110.345 176.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -54.93 -39.79 69.21 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.555 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -71.04 -51.9 22.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.202 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.547 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 24.2 p -73.9 -29.47 62.07 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -173.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -52.25 -36.01 51.39 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.02 0.438 . . . . 0.0 110.988 178.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -61.07 -26.62 67.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.065 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.3 p -119.84 10.9 11.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.958 0.408 . . . . 0.0 111.551 -178.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 48.7 mt -95.18 -174.04 3.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.139 0.495 . . . . 0.0 110.959 176.209 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.9 m -146.46 166.97 24.82 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 177.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -58.74 -42.09 87.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.754 0.311 . . . . 0.0 110.553 -177.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.3 p -56.33 -49.9 73.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.002 175.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -65.6 -35.44 80.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.388 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.433 ' O ' HG23 ' A' ' 45' ' ' VAL . 38.4 mt-30 -66.29 -28.22 68.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.083 179.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -67.66 -45.91 73.9 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 174.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -64.94 -35.84 82.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.649 176.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.536 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 74.4 t80 -61.42 -50.07 74.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.69 178.124 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 41' ' ' GLN . 85.7 t -66.36 -37.94 80.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.947 0.404 . . . . 0.0 110.4 179.127 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.66 -45.06 95.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 177.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 31.2 tp -66.61 -36.42 82.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.234 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 44' ' ' PHE . 79.1 mt -62.63 -33.15 74.44 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.907 0.384 . . . . 0.0 111.567 -179.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -85.49 -13.33 49.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.794 0.331 . . . . 0.0 111.138 178.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.6 m -89.92 172.1 9.11 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.631 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.585 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 37.5 t0 -72.48 156.96 38.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.172 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.523 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 7.5 p-10 -119.92 52.14 2.15 Favored Pre-proline 0 CA--C 1.542 0.671 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -171.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.585 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 2.2 Cg_endo -82.97 -55.68 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 121.783 1.655 . . . . 0.0 111.56 177.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.412 ' O ' ' HD1' ' A' ' 58' ' ' TRP . 11.9 p-10 -69.6 -32.47 71.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.566 176.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.48 ' O ' HG23 ' A' ' 59' ' ' VAL . 8.3 tt -58.3 -49.74 76.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.888 176.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -59.71 -35.23 74.1 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.813 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.564 ' HB1' ' HA3' ' A' ' 63' ' ' GLY . . . -74.85 -30.76 61.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.98 -176.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.412 ' HD1' ' O ' ' A' ' 54' ' ' ASP . 21.1 m95 -78.77 -28.46 44.77 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.438 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 55' ' ' LEU . 89.0 t -65.4 -32.35 57.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.97 0.414 . . . . 0.0 110.536 177.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 20.0 ptp -94.86 -15.0 24.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.482 175.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.8 51.7 8.99 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.142 -0.551 . . . . 0.0 112.043 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -142.54 20.58 2.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.221 0.534 . . . . 0.0 109.965 -177.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.564 ' HA3' ' HB1' ' A' ' 57' ' ' ALA . . . -134.04 -171.92 12.72 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.263 -0.97 . . . . 0.0 113.039 -174.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.36 149.39 39.33 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -178.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 12.8 t -138.03 156.76 47.48 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 177.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -72.27 -41.31 66.86 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -173.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -116.45 137.1 52.43 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.314 -0.555 . . . . 0.0 110.52 -179.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.9 mt -76.64 -13.83 60.02 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.672 178.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.91 -48.38 82.73 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.358 178.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.417 ' O ' HG23 ' A' ' 74' ' ' VAL . 44.8 mt -67.67 -36.32 80.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.134 0.492 . . . . 0.0 110.372 176.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.5 -26.79 64.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.712 -0.677 . . . . 0.0 112.034 -178.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.44 -44.55 92.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.612 -177.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -73.53 -28.91 62.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.791 0.329 . . . . 0.0 110.782 178.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 70' ' ' LEU . 60.4 t -66.34 -36.61 77.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.862 0.363 . . . . 0.0 110.057 177.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -55.1 -41.76 72.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.885 176.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -63.11 -38.87 92.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.299 0.571 . . . . 0.0 110.041 178.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.413 HG23 ' CD2' ' A' ' 28' ' ' PHE . 76.0 mt -64.86 -48.36 84.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.398 178.044 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 74' ' ' VAL . 65.4 t -61.04 -38.37 79.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.072 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.1 -45.2 91.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.915 0.388 . . . . 0.0 111.352 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -71.89 -36.32 70.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.035 0.445 . . . . 0.0 110.348 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.412 ' O ' HG23 ' A' ' 85' ' ' VAL . 51.5 t30 -64.36 -43.82 93.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.016 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.428 ' O ' HD23 ' A' ' 82' ' ' LEU . 5.0 tt -57.43 -34.88 69.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.986 0.422 . . . . 0.0 109.882 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.549 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 46.6 t -63.57 -51.58 64.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.21 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 15.4 ptmm? -68.16 -22.84 64.83 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.972 0.415 . . . . 0.0 110.816 -177.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 81' ' ' ASN . 98.3 t -79.73 -32.31 14.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.446 177.064 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.415 ' HG2' ' O ' ' A' ' 83' ' ' SER . 7.0 ptt180 -80.3 -27.07 38.56 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.811 0.338 . . . . 0.0 110.477 -179.044 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 83' ' ' SER . 87.9 mt -69.55 -42.93 73.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.519 178.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 . . . . . 0 C--N 1.322 -0.629 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.74 174.079 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.4 ttm . . . . . 0 N--CA 1.476 0.849 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.633 ' HD1' ' HG2' ' A' ' 6' ' ' GLN . 88.5 m-85 -123.65 125.11 44.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.846 0.355 . . . . 0.0 111.06 -177.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.8 p -81.43 178.93 8.07 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.376 177.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.87 -45.64 82.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.792 0.329 . . . . 0.0 111.66 -176.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -67.42 -42.82 82.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.266 0.555 . . . . 0.0 110.572 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.633 ' HG2' ' HD1' ' A' ' 2' ' ' TYR . 25.3 tt0 -70.05 -39.0 75.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.508 -175.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -31.91 71.59 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.967 0.413 . . . . 0.0 110.158 177.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.625 ' O ' ' HG3' ' A' ' 11' ' ' LYS . . . -59.71 -35.75 75.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.899 177.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 -61.77 -30.83 71.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.226 0.536 . . . . 0.0 109.744 178.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 63.5 mt -73.18 -44.7 55.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.15 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.667 ' HA ' ' SG ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -66.5 -34.78 78.7 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.464 -178.582 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.404 ' HD1' ' O ' ' A' ' 8' ' ' ALA . 14.2 m95 -59.69 -39.07 83.32 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.857 0.36 . . . . 0.0 110.606 172.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.33 -40.93 42.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.597 -175.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.776 ' HB3' HD13 ' A' ' 48' ' ' LEU . 29.0 p -66.81 -28.38 68.32 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -175.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -92.81 80.13 4.69 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.43 0.633 . . . . 0.0 110.773 -178.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -139.05 165.85 26.04 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.484 174.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.66 -61.49 3.82 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.777 -0.725 . . . . 0.0 111.944 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.4 ptt? -156.32 139.36 15.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.057 0.456 . . . . 0.0 111.055 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.6 mt -69.61 -20.39 63.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.815 -178.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -58.85 -20.95 55.46 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.0 mt -84.75 -14.88 46.92 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.384 178.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -57.14 -41.43 79.11 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.017 0.437 . . . . 0.0 110.731 -179.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.1 t -64.51 -33.07 60.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.837 -176.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.5 m -103.16 8.49 9.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.939 0.399 . . . . 0.0 111.855 -174.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 39.7 mm -119.06 -53.61 3.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 121.026 -0.27 . . . . 0.0 111.386 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.465 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 24.7 ttt -55.04 -54.67 47.62 Favored Pre-proline 0 CA--C 1.54 0.561 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -170.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.465 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 60.8 Cg_endo -73.76 -34.84 5.01 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 121.423 1.415 . . . . 0.0 112.808 -176.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.437 ' CE1' ' HB3' ' A' ' 80' ' ' HIS . 22.2 m-30 -70.35 -36.47 74.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.477 -179.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -56.84 -41.05 77.21 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.586 176.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 26' ' ' MET . 23.0 mt-10 -56.82 -42.76 80.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.27 0.557 . . . . 0.0 110.455 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -74.65 -50.43 17.74 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.44 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.573 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 74.0 m -61.17 -47.51 85.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.394 -176.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.42 ' HD1' ' NE2' ' A' ' 41' ' ' GLN . 93.6 t80 -58.99 -35.19 72.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.046 0.451 . . . . 0.0 111.063 -178.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -65.28 -28.21 69.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.444 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.9 m -110.89 -26.09 9.5 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -172.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 62.2 mt -80.35 165.61 22.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.21 0.528 . . . . 0.0 111.284 -175.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 33.4 p -102.66 162.77 12.66 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.594 177.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -60.1 -36.2 76.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.675 0.274 . . . . 0.0 111.63 -176.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.1 m -56.93 -44.56 82.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 175.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -71.34 -34.56 70.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.067 177.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.427 ' O ' HG23 ' A' ' 45' ' ' VAL . 14.0 mm100 -65.19 -31.6 72.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.224 178.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -60.2 -45.68 92.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.089 0.471 . . . . 0.0 109.769 175.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.7 -41.84 87.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.687 175.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.554 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 72.7 t80 -62.61 -46.18 89.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.266 -178.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 41' ' ' GLN . 89.7 t -65.48 -38.34 82.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 178.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.87 -38.29 72.54 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.176 0.513 . . . . 0.0 110.561 175.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.9 -43.33 88.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.918 177.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.776 HD13 ' HB3' ' A' ' 14' ' ' CYS . 68.4 mt -66.98 -30.03 70.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.509 -176.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -80.85 -13.63 58.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.196 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.9 m -95.73 175.13 6.64 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.139 0.495 . . . . 0.0 111.668 -175.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.534 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 25.4 t70 -80.34 159.45 25.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.046 174.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.503 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 7.9 p-10 -117.54 52.12 1.24 Allowed Pre-proline 0 CA--C 1.546 0.794 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -169.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.534 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 2.2 Cg_endo -83.95 -55.0 0.03 OUTLIER 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 121.702 1.601 . . . . 0.0 110.834 174.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -62.3 -36.7 82.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.82 176.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.433 ' O ' HG23 ' A' ' 59' ' ' VAL . 6.4 tt -63.34 -50.33 70.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.908 -179.123 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -61.37 -35.15 76.66 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.089 0.471 . . . . 0.0 110.671 178.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.74 -32.48 74.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.512 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -79.37 -28.07 41.95 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.187 -0.205 . . . . 0.0 111.519 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 55' ' ' LEU . 72.8 t -60.94 -39.57 82.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.197 0.523 . . . . 0.0 109.761 173.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.6 mmt -83.15 -22.13 33.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.112 176.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.31 48.76 6.21 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.423 177.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -142.31 27.23 1.75 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.14 0.495 . . . . 0.0 110.574 -178.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -128.91 -179.27 15.83 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.69 -177.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -127.96 164.0 23.28 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 178.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 52.9 m -144.41 136.34 26.06 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.989 174.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -70.88 -34.6 71.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.619 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.5 ' ND2' ' HG ' ' A' ' 70' ' ' LEU . 16.1 p-10 -121.41 114.94 22.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.274 0.559 . . . . 0.0 109.803 175.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 76.7 mt -70.07 -14.84 62.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.391 -176.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.08 -35.81 71.35 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.186 176.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.5 ' HG ' ' ND2' ' A' ' 67' ' ' ASN . 42.2 mt -71.28 -39.67 71.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.328 0.585 . . . . 0.0 110.69 176.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.21 -23.98 63.96 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.558 -177.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.7 -42.39 79.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.574 -179.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -72.82 -36.42 67.52 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.888 178.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 49.7 t -62.97 -37.76 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.064 0.459 . . . . 0.0 109.976 178.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -54.62 -45.8 73.78 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.821 177.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -66.45 -34.77 78.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.952 -177.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 74.2 mt -65.65 -51.12 66.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.147 176.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.4 t -62.4 -42.58 96.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.076 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.55 -36.24 75.79 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.795 0.331 . . . . 0.0 111.153 179.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.437 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 14.3 m80 -71.97 -38.11 69.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.017 0.437 . . . . 0.0 111.489 177.383 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.485 ' O ' HG23 ' A' ' 85' ' ' VAL . 10.6 t30 -67.72 -36.46 80.64 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.076 0.465 . . . . 0.0 109.981 178.089 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.5 tp -58.36 -45.31 88.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.091 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.501 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 15.7 p -70.75 -38.94 73.55 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.901 -175.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.403 ' HG2' ' HA ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -67.58 -29.56 68.94 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.369 178.257 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 81' ' ' ASN . 59.1 t -72.56 -36.31 53.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.871 177.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 83' ' ' SER . 12.2 ptt180 -73.59 -19.66 60.81 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.017 0.437 . . . . 0.0 110.235 179.438 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 54.5 tp -84.94 -52.34 6.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.822 177.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 120.913 0.387 . . . . 0.0 111.479 -176.276 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.483 1.178 0 CA-C-O 120.639 0.257 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -128.11 132.81 48.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.241 0.543 . . . . 0.0 111.644 178.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 45.2 p -119.21 174.01 6.59 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.859 177.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.98 -35.1 79.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.191 0.519 . . . . 0.0 109.895 175.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -61.44 -44.05 97.8 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.053 175.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -62.1 -44.87 95.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.556 178.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.439 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 82.6 mttt -59.15 -37.87 78.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.859 176.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.2 -42.97 99.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.104 -177.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -61.68 -39.83 92.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.176 0.512 . . . . 0.0 110.216 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.9 mt -69.49 -42.44 80.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.584 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.628 ' HA ' ' SG ' ' A' ' 14' ' ' CYS . 99.5 mttt -58.49 -35.96 73.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.329 176.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.0 m95 -65.59 -31.94 73.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.833 0.349 . . . . 0.0 111.108 176.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.65 -6.39 59.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.593 -178.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.628 ' SG ' ' HA ' ' A' ' 11' ' ' LYS . 71.0 m -66.37 -38.27 87.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.873 0.368 . . . . 0.0 110.812 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -84.72 78.44 9.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.913 0.387 . . . . 0.0 110.677 176.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.1 tpt180 -76.58 -33.74 58.46 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.1 177.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 169.15 -46.69 0.22 Allowed Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.505 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.1 tpt -65.6 102.6 0.74 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.927 0.394 . . . . 0.0 110.191 177.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.7 mt -67.66 -29.86 69.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.416 -174.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -66.46 -20.45 66.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.844 0.354 . . . . 0.0 110.939 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.7 mt -89.33 -7.01 56.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.448 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -62.97 -40.89 99.09 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.289 0.566 . . . . 0.0 110.532 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.6 t -78.8 -10.55 12.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.404 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.508 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 57.4 t -97.84 -61.8 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.352 -177.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 66.8 mt -60.13 -40.53 83.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -172.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.774 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 25.3 ttt -61.03 -54.8 50.71 Favored Pre-proline 0 CA--C 1.54 0.569 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -174.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.774 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 12.4 Cg_exo -72.11 -37.1 5.01 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 121.817 1.678 . . . . 0.0 112.235 177.081 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -62.34 -34.27 76.33 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.144 178.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.423 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 32.5 t80 -55.75 -47.77 76.41 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 174.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -65.21 -34.84 79.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.056 0.455 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 27' ' ' PRO . 72.4 mt-10 -67.91 -49.21 63.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.474 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.551 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 24.0 p -73.57 -36.26 65.56 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.294 -0.162 . . . . 0.0 111.161 -178.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -52.28 -36.47 52.93 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.354 0.597 . . . . 0.0 110.516 175.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -68.72 -19.76 64.37 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.891 -178.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.2 m -117.44 -5.48 11.24 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -171.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 79.7 mt -110.47 -179.95 3.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.83 0.348 . . . . 0.0 111.083 -175.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.73 -179.0 5.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.24 174.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.498 ' HA ' HE21 ' A' ' 41' ' ' GLN . 5.5 mm-40 -51.63 -43.7 62.7 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 122.977 0.511 . . . . 0.0 112.026 -171.389 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.6 p -55.8 -51.04 68.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.589 -178.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -71.23 -43.52 67.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.29 0.567 . . . . 0.0 110.162 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.498 HE21 ' HA ' ' A' ' 38' ' ' GLU . 22.8 mt-30 -58.2 -40.57 81.92 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.848 -178.233 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -66.57 -43.21 85.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.112 0.482 . . . . 0.0 110.451 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -65.39 -35.5 81.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.967 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.455 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 80.4 t80 -64.96 -49.71 69.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.022 177.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 41' ' ' GLN . 89.8 t -61.35 -44.28 98.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.849 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.8 -39.44 81.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.511 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.702 HD22 HD22 ' A' ' 70' ' ' LEU . 42.1 tp -67.26 -36.83 82.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.907 -179.153 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 44' ' ' PHE . 93.0 mt -64.04 -22.3 66.87 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.59 -177.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -78.0 -13.1 60.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.725 0.298 . . . . 0.0 111.177 179.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.4 m -99.32 170.62 8.52 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.696 -179.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.537 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 27.3 t70 -67.94 159.65 30.15 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 174.192 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.516 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 12.3 p-10 -118.88 52.46 1.72 Allowed Pre-proline 0 CA--C 1.544 0.721 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 -170.041 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.537 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 9.3 Cg_endo -86.2 -51.43 0.03 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 121.855 1.703 . . . . 0.0 110.98 174.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.433 ' OD1' ' HD2' ' A' ' 53' ' ' PRO . 18.4 p-10 -70.08 -32.84 71.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.023 176.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.461 ' O ' HG23 ' A' ' 59' ' ' VAL . 7.1 tt -60.23 -50.4 73.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.437 175.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -63.73 -33.3 75.33 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.335 178.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.595 ' HB1' ' HA3' ' A' ' 63' ' ' GLY . . . -59.96 -45.82 91.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.741 -178.14 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.413 ' HE1' ' C ' ' A' ' 64' ' ' ARG . 37.4 m95 -74.18 -28.76 61.44 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.386 -178.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 55' ' ' LEU . 95.6 t -66.64 -45.0 89.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-O 120.733 0.302 . . . . 0.0 110.523 175.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.5 ptm -78.29 -18.46 55.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.198 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.28 39.42 8.43 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.366 178.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -153.41 88.74 1.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.595 ' HA3' ' HB1' ' A' ' 57' ' ' ALA . . . 166.89 -174.44 42.23 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.148 -1.025 . . . . 0.0 113.275 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.413 ' C ' ' HE1' ' A' ' 58' ' ' TRP . 27.4 ptt180 -140.44 170.52 15.66 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 122.752 0.421 . . . . 0.0 110.184 -179.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 46.5 t -158.24 160.48 37.16 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -85.01 -33.96 22.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.743 -176.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -119.09 121.21 39.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.932 0.396 . . . . 0.0 110.408 -175.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 63.8 mt -75.34 -13.64 60.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.927 -177.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.96 -37.55 91.48 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.751 176.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.702 HD22 HD22 ' A' ' 47' ' ' LEU . 59.8 mt -68.07 -35.68 78.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.165 0.507 . . . . 0.0 110.682 175.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.45 -31.74 70.24 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.794 -178.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.8 -44.05 81.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.623 -177.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.445 ' HG2' ' O ' ' A' ' 70' ' ' LEU . 27.1 ptt? -73.77 -28.36 61.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.657 0.265 . . . . 0.0 110.858 -179.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 70' ' ' LEU . 89.5 t -62.97 -38.48 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.117 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.456 178.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -54.75 -41.74 70.79 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.9 177.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.4 mmtt -69.0 -39.44 79.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.46 -178.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 44.9 mm -62.93 -51.01 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.375 177.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 95.5 t -61.54 -42.7 95.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.047 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.77 -46.06 90.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.863 0.363 . . . . 0.0 111.226 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.44 -35.7 71.01 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.034 0.445 . . . . 0.0 110.439 -178.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.543 ' O ' HG23 ' A' ' 85' ' ' VAL . 64.3 t30 -69.63 -36.03 75.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.435 179.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 tt -54.08 -40.56 67.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.675 -172.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.1 p -66.92 -48.03 69.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.818 0.342 . . . . 0.0 111.552 -175.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 81' ' ' ASN . 16.6 ptpt -69.42 -24.19 63.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.791 -179.076 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 81' ' ' ASN . 85.7 t -74.69 -54.62 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.08 0.467 . . . . 0.0 110.776 176.272 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -70.39 -10.23 58.5 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.065 -175.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 38.9 tp -60.37 -42.48 95.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.325 175.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 . . . . . 0 N--CA 1.463 0.192 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.825 -178.26 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 N--CA 1.477 0.902 0 CA-C-O 120.892 0.377 . . . . 0.0 110.094 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.524 ' CE2' ' HB3' ' A' ' 6' ' ' GLN . 0.5 OUTLIER -110.0 113.83 26.86 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.719 -177.161 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.454 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 67.8 p -72.22 169.08 16.9 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.865 -171.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.47 -31.22 72.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.727 178.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -64.21 -41.58 96.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.859 175.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.524 ' HB3' ' CE2' ' A' ' 2' ' ' TYR . 15.9 mm100 -70.07 -30.19 67.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.422 177.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 3' ' ' THR . 35.2 mmtm -56.79 -39.05 73.4 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.078 0.465 . . . . 0.0 110.397 176.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.46 -36.39 80.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.937 179.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -61.21 -35.36 76.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.659 -178.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.8 mt -71.16 -47.57 60.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.5 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.403 ' HD2' ' O ' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -64.85 -38.43 90.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.576 -177.284 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -71.79 -22.28 61.6 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -99.31 -20.01 16.75 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.513 0.561 . . . . 0.0 112.513 -175.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.8 p -73.3 -26.81 61.22 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.832 0.348 . . . . 0.0 111.473 -176.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.422 ' H ' ' HG3' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -80.68 166.82 20.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.975 177.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 16' ' ' ARG . 0.1 OUTLIER 75.38 154.8 0.16 Allowed 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.941 0.776 . . . . 0.0 110.831 -177.045 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.73 -65.79 2.33 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 110.556 -1.017 . . . . 0.0 110.556 -178.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.568 ' HG2' ' HG ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -144.37 95.59 2.74 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 174.377 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.5 mt -60.84 -29.56 69.58 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -172.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -66.63 -29.8 69.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.727 0.299 . . . . 0.0 111.183 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.576 ' O ' HG12 ' A' ' 25' ' ' ILE . 76.5 mt -72.15 -33.62 67.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.108 -178.42 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -51.15 -37.26 45.24 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.041 0.448 . . . . 0.0 111.49 -179.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 36.0 t -61.74 -31.87 52.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.676 -177.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.415 ' C ' ' HD2' ' A' ' 27' ' ' PRO . 27.0 m -105.9 -24.32 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -176.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.576 HG12 ' O ' ' A' ' 21' ' ' LEU . 29.1 mm -59.25 -47.24 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 N-CA-C 111.536 0.199 . . . . 0.0 111.536 -178.098 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.653 ' HB2' ' HD3' ' A' ' 27' ' ' PRO . 79.1 mtp -61.28 -52.57 69.98 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -178.125 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.653 ' HD3' ' HB2' ' A' ' 26' ' ' MET . 53.2 Cg_exo -55.93 -41.24 79.16 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.034 1.823 . . . . 0.0 112.803 174.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -62.99 -36.57 83.99 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 121.304 -0.158 . . . . 0.0 111.209 178.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.615 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 88.4 t80 -61.27 -38.86 88.27 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 121.26 -0.176 . . . . 0.0 110.586 178.016 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -59.76 -45.35 92.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.555 0.693 . . . . 0.0 110.17 177.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -66.66 -51.33 57.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.6 -1.182 . . . . 0.0 111.841 -178.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.615 ' SG ' ' HA ' ' A' ' 29' ' ' PHE . 24.3 p -73.44 -24.59 60.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.546 -174.454 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -53.16 -35.44 59.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.322 177.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -63.28 -23.74 67.56 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.428 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.2 m -113.06 -7.01 13.69 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -174.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.525 HD22 ' HG2' ' A' ' 40' ' ' GLU . 70.5 mt -112.36 155.69 23.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.838 0.351 . . . . 0.0 111.189 -176.005 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.8 p -115.65 -172.9 2.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.325 177.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -55.32 -40.03 70.67 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.213 0.32 . . . . 0.0 111.52 -176.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.0 p -59.23 -50.35 74.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.221 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.525 ' HG2' HD22 ' A' ' 36' ' ' LEU . 4.7 mp0 -65.52 -37.8 87.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.131 0.491 . . . . 0.0 110.057 178.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.476 ' O ' HG23 ' A' ' 45' ' ' VAL . 85.5 mt-30 -61.42 -40.95 96.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.345 178.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -66.47 -43.81 84.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.633 0.254 . . . . 0.0 110.831 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.509 ' HB3' HD23 ' A' ' 70' ' ' LEU . 7.1 m-20 -60.07 -40.55 89.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.036 0.445 . . . . 0.0 110.675 176.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.437 ' HB2' ' SD ' ' A' ' 73' ' ' MET . 75.4 t80 -63.84 -48.46 76.66 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.804 179.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 41' ' ' GLN . 90.1 t -62.86 -36.4 75.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.99 179.018 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.89 -36.01 78.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.003 0.43 . . . . 0.0 110.627 177.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 47' ' ' LEU . 20.5 mt -68.02 -37.52 81.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.166 176.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.0 mt -66.28 -21.81 66.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.943 0.402 . . . . 0.0 111.641 -176.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -75.1 -13.02 60.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.941 0.401 . . . . 0.0 110.999 176.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.4 m -123.53 -165.57 1.35 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.073 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -80.11 -175.66 5.14 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 172.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -119.25 53.82 2.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -179.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.95 -55.09 0.22 Allowed 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 121.361 1.374 . . . . 0.0 112.833 -171.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -70.04 -35.02 73.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.678 0.275 . . . . 0.0 110.672 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.601 ' HG ' HG22 ' A' ' 74' ' ' VAL . 6.6 tt -62.81 -49.94 72.95 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 178.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -61.17 -38.03 85.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.388 0.613 . . . . 0.0 110.156 178.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.764 ' HB1' ' HA3' ' A' ' 63' ' ' GLY . . . -60.83 -44.79 96.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.054 -177.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.421 ' HE1' ' N ' ' A' ' 65' ' ' CYS . 14.6 m95 -72.43 -28.84 63.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.557 0.218 . . . . 0.0 111.203 -178.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 55' ' ' LEU . 93.0 t -66.76 -43.67 89.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.973 0.416 . . . . 0.0 110.3 174.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 95.3 mmm -77.98 -19.18 54.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.116 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.24 29.04 34.74 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.186 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -145.72 87.79 1.8 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 -179.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.764 ' HA3' ' HB1' ' A' ' 57' ' ' ALA . . . 159.72 168.77 22.16 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 119.918 -1.134 . . . . 0.0 113.339 175.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -120.26 137.0 54.47 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.421 ' N ' ' HE1' ' A' ' 58' ' ' TRP . 46.1 t -93.45 150.48 20.42 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 -178.231 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -59.81 -40.9 89.95 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 123.762 0.664 . . . . 0.0 111.167 -177.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -151.0 156.99 42.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.007 177.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 32.3 mt -75.73 -14.26 60.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.511 -176.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.76 -47.01 92.95 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.766 -0.73 . . . . 0.0 111.517 173.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.509 HD23 ' HB3' ' A' ' 43' ' ' ASP . 97.9 mt -67.37 -44.08 79.84 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.069 0.461 . . . . 0.0 110.172 175.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.32 -29.61 69.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.536 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.58 ' O ' ' HG2' ' A' ' 76' ' ' LYS . . . -60.08 -41.41 92.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.902 178.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.463 ' HE2' ' HA ' ' A' ' 70' ' ' LEU . 60.9 mtm -63.59 -44.79 93.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.156 0.503 . . . . 0.0 109.862 178.528 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.601 HG22 ' HG ' ' A' ' 55' ' ' LEU . 37.0 t -61.66 -41.19 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.605 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -58.15 -40.15 80.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.415 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 57.2 mmtt -67.63 -40.93 84.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.076 0.465 . . . . 0.0 110.234 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 74.1 mt -64.85 -45.56 94.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.206 177.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 74' ' ' VAL . 99.0 t -62.04 -39.41 83.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.736 178.126 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.63 -43.05 97.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.968 0.413 . . . . 0.0 110.816 178.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -71.18 -36.17 71.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.225 0.536 . . . . 0.0 110.148 178.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.436 ' O ' HG23 ' A' ' 85' ' ' VAL . 55.8 t30 -65.65 -33.72 76.55 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.842 178.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 31.7 tp -53.67 -38.9 64.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.043 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.0 t -65.6 -36.74 84.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.261 176.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -65.45 -33.64 76.41 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.186 176.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 81' ' ' ASN . 59.3 t -64.61 -36.52 77.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.383 178.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -76.63 -48.21 19.8 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.073 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 tt -64.57 -50.71 66.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.182 0.515 . . . . 0.0 109.899 -179.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 . . . . . 0 C--N 1.323 -0.587 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.625 179.626 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.638 0.256 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.564 ' HB2' ' HE1' ' A' ' 33' ' ' PHE . 86.1 m-85 -122.41 145.46 48.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.895 0.379 . . . . 0.0 110.827 -178.125 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.423 ' H ' ' HB2' ' A' ' 6' ' ' GLN . 1.3 p -138.12 -170.67 2.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.863 -178.057 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.67 -45.63 93.42 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -174.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -66.91 -36.71 82.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.153 0.502 . . . . 0.0 110.203 -178.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.481 ' O ' HG13 ' A' ' 10' ' ' ILE . 17.8 mm-40 -59.25 -38.28 79.65 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.819 175.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -57.48 -38.1 73.98 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.904 0.383 . . . . 0.0 110.698 178.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.69 -42.79 85.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.317 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.433 ' HD2' ' OE1' ' A' ' 6' ' ' GLN . 75.0 mtt180 -64.51 -36.79 85.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.39 178.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 6' ' ' GLN . 88.0 mt -64.46 -43.29 96.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.3 176.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -60.28 -35.23 75.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.692 177.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -64.53 -23.93 67.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.796 0.331 . . . . 0.0 111.4 176.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.32 12.24 18.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.478 -179.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.4 p -67.29 -26.34 66.49 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 176.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 71.51 108.08 0.06 Allowed 'General case' 0 CA--C 1.528 0.129 0 O-C-N 124.185 0.928 . . . . 0.0 110.645 177.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.46 ' HD3' ' H ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -59.72 132.77 54.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.464 -177.363 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 168.31 -44.41 0.23 Allowed Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.986 -0.626 . . . . 0.0 111.711 -177.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.521 ' HE2' ' HB2' ' A' ' 20' ' ' GLU . 24.5 ptm -153.56 138.49 17.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.796 0.331 . . . . 0.0 110.132 175.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.3 mt -81.56 -23.0 37.46 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.347 -175.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.521 ' HB2' ' HE2' ' A' ' 18' ' ' MET . 5.9 mm-40 -62.08 -20.85 64.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.331 -177.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 28.1 mt -81.7 -40.32 22.95 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.914 177.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -61.72 -42.26 98.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.945 0.402 . . . . 0.0 110.924 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.0 m -72.4 -10.78 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -175.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.0 m -106.37 -14.91 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.484 -0.486 . . . . 0.0 111.339 177.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 73.6 mt -94.26 -57.29 4.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.511 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.654 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 27.3 ttt -61.55 -53.06 65.14 Favored Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -173.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.654 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 48.6 Cg_exo -58.62 -30.28 91.64 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 121.978 1.785 . . . . 0.0 112.169 177.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 76' ' ' LYS . 92.6 t80 -69.2 -45.25 70.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.101 178.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.408 ' O ' ' HB2' ' A' ' 33' ' ' PHE . 69.9 t80 -60.83 -39.71 90.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.468 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.3 -41.17 79.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.962 0.411 . . . . 0.0 111.587 179.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -83.22 -47.14 11.87 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.733 -178.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.5 t -81.31 -17.39 49.43 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.216 -169.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.564 ' HE1' ' HB2' ' A' ' 2' ' ' TYR . 67.7 t80 -48.94 -39.09 24.96 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 122.658 0.383 . . . . 0.0 111.941 -177.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -69.2 -23.71 63.94 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.785 0.326 . . . . 0.0 111.625 -178.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.5 m -101.72 -23.86 14.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.733 0.302 . . . . 0.0 111.535 -176.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.442 ' HB3' ' HG3' ' A' ' 41' ' ' GLN . 91.7 mt -72.13 136.06 46.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.959 0.409 . . . . 0.0 111.171 -178.098 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 61.2 p -84.41 163.96 19.19 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.294 176.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.61 -40.08 74.72 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.452 176.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.8 m -58.21 -51.93 67.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.086 178.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -61.9 -48.08 82.08 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.622 0.725 . . . . 0.0 110.119 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.557 ' HB3' ' CE2' ' A' ' 2' ' ' TYR . 14.4 mt-30 -61.05 -35.14 76.15 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.762 -1.108 . . . . 0.0 112.499 -175.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -75.11 -46.34 35.16 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.824 0.345 . . . . 0.0 110.975 -178.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -69.31 -33.58 73.37 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.289 -177.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.445 ' HD1' ' HB3' ' A' ' 73' ' ' MET . 70.0 t80 -61.56 -50.25 73.38 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.803 177.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.7 t -70.01 -38.6 75.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.759 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.68 -32.11 68.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.567 178.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.494 HD13 HD13 ' A' ' 70' ' ' LEU . 59.5 tp -64.94 -39.63 93.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.286 -179.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.0 mt -69.25 -17.99 63.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.198 -173.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -68.27 -40.34 81.87 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -176.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.5 m -124.29 113.31 18.07 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.398 -179.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 t70 51.21 -160.3 0.09 Allowed 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.582 176.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.51 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 9.4 p-10 -155.64 52.58 0.7 Allowed Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.121 176.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.51 ' HD3' ' N ' ' A' ' 52' ' ' ASP . 3.5 Cg_exo -75.02 -48.68 0.16 Allowed 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.307 2.005 . . . . 0.0 112.53 -171.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -66.62 -34.43 77.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.194 0.521 . . . . 0.0 110.053 178.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.3 tt -71.5 -51.75 21.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.069 -178.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -56.81 -39.12 73.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.051 178.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.23 -52.05 66.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.32 -176.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.541 ' HB2' HG11 ' A' ' 74' ' ' VAL . 18.2 m95 -77.9 -31.09 50.99 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.585 -174.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 77.9 t -68.86 -45.58 80.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 110.91 177.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.2 mmt -82.6 -13.54 56.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.897 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.3 47.27 90.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.832 178.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -144.03 28.46 1.39 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.439 0.161 . . . . 0.0 111.1 -175.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -168.6 -165.65 26.35 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 119.715 -1.231 . . . . 0.0 113.548 -177.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -141.8 158.96 43.16 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 -178.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.58 ' SG ' ' HB2' ' A' ' 71' ' ' ALA . 28.4 p -105.61 166.18 10.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.663 0.268 . . . . 0.0 110.401 -179.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -78.48 -47.6 17.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.939 176.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -126.65 149.72 49.36 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 178.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.4 ' HA ' ' HB3' ' A' ' 71' ' ' ALA . 16.0 mt -77.4 -14.97 59.59 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -178.087 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.34 -47.76 89.5 Favored Glycine 0 CA--C 1.516 0.13 0 C-N-CA 120.537 -0.84 . . . . 0.0 111.473 176.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.494 HD13 HD13 ' A' ' 47' ' ' LEU . 40.1 mt -66.62 -35.0 79.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.957 0.408 . . . . 0.0 110.243 173.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.58 ' HB2' ' SG ' ' A' ' 65' ' ' CYS . . . -62.61 -38.04 88.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.028 179.071 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.18 -35.22 79.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.897 0.379 . . . . 0.0 110.615 177.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.483 ' HA ' ' CE ' ' A' ' 73' ' ' MET . 19.5 mmt -71.24 -46.74 60.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.43 177.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.541 HG11 ' HB2' ' A' ' 58' ' ' TRP . 61.2 t -64.04 -37.98 81.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.853 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -54.95 -45.94 74.95 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.072 177.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 96.2 mttt -65.62 -34.42 78.19 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.625 178.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 73' ' ' MET . 71.9 mt -64.94 -47.56 87.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.18 175.089 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 74' ' ' VAL . 99.1 t -59.02 -46.42 91.71 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.838 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.59 -41.16 80.63 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.218 0.532 . . . . 0.0 110.732 178.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -69.55 -38.46 77.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.523 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.443 ' O ' HG23 ' A' ' 85' ' ' VAL . 63.7 t30 -69.47 -45.93 67.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 179.335 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 69.1 mt -56.51 -30.68 63.3 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 121.0 0.429 . . . . 0.0 110.776 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.667 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 49.5 m -65.4 -49.43 69.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.402 178.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.463 ' HA ' HD12 ' A' ' 87' ' ' LEU . 17.4 ptmt -69.38 -22.92 63.68 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.521 -0.471 . . . . 0.0 110.861 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 81' ' ' ASN . 84.2 t -76.74 -42.55 33.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.805 0.336 . . . . 0.0 110.495 176.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.533 ' HG2' ' O ' ' A' ' 83' ' ' SER . 38.7 ptt180 -72.24 -15.0 61.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.967 -178.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.667 ' HG ' ' O ' ' A' ' 83' ' ' SER . 52.4 mt -64.49 -39.69 94.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.408 176.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 . . . . . 0 N--CA 1.465 0.291 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -176.581 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.535 0.207 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.524 ' OH ' HD11 ' A' ' 10' ' ' ILE . 0.5 OUTLIER 69.83 159.78 0.19 Allowed 'General case' 0 C--O 1.234 0.245 0 O-C-N 124.146 0.904 . . . . 0.0 112.259 174.653 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.1 p -136.95 155.27 49.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.486 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.9 -26.59 68.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.334 0.588 . . . . 0.0 109.832 173.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -61.34 -44.93 96.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.625 176.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.573 ' OE1' ' HD2' ' A' ' 9' ' ' ARG . 6.5 tp-100 -65.63 -37.72 87.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.498 177.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -59.99 -34.39 73.26 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.285 178.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.86 -36.87 85.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.045 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.573 ' HD2' ' OE1' ' A' ' 6' ' ' GLN . 80.2 mtt180 -63.58 -36.95 85.49 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.078 0.466 . . . . 0.0 110.111 178.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.524 HD11 ' OH ' ' A' ' 2' ' ' TYR . 62.8 mt -64.67 -44.66 96.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.305 177.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -55.67 -40.71 72.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.31 -178.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.0 m95 -72.7 -30.24 64.05 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.65 -34.8 24.96 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -171.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.0 p -66.76 -24.28 66.19 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.033 0.444 . . . . 0.0 111.232 -177.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.437 HH21 ' CG ' ' A' ' 22' ' ' ASP . 2.0 mmp_? -66.51 92.09 0.2 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.692 -178.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -103.65 -174.31 2.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.85 173.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.6 -4.86 90.18 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.163 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 22.7 ptp -118.9 132.9 56.11 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 176.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.2 mt -74.27 -24.93 59.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.736 -173.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -55.98 -41.64 75.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.759 -176.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.5 mt -73.8 -46.2 46.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.893 0.377 . . . . 0.0 110.729 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.437 ' CG ' HH21 ' A' ' 15' ' ' ARG . 22.8 t70 -61.66 -39.42 91.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.083 -177.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.6 p -74.4 -20.25 17.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.833 -176.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.6 m -99.93 10.34 7.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 121.057 0.455 . . . . 0.0 110.586 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 84.6 mt -120.46 -49.07 3.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.961 176.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.732 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 35.5 ttm -53.46 -56.01 29.01 Favored Pre-proline 0 CA--C 1.539 0.531 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -173.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.732 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 94.2 Cg_endo -89.79 -21.25 1.07 Allowed 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 121.868 1.712 . . . . 0.0 112.648 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.63 ' CE2' HG12 ' A' ' 77' ' ' ILE . 82.4 t80 -69.78 -37.02 76.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.769 -178.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -58.4 -34.89 71.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.599 177.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.423 ' OE2' ' HA ' ' A' ' 27' ' ' PRO . 31.0 mt-10 -57.7 -38.66 75.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.33 0.586 . . . . 0.0 110.443 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -85.01 -48.11 9.56 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.568 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 10.8 t -71.86 -22.6 61.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.812 -171.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -54.73 -35.65 63.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.131 0.491 . . . . 0.0 110.912 178.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -64.88 -27.83 69.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.009 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.8 t -102.25 -5.37 24.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.98 -176.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 73.3 mt -103.41 126.76 50.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.975 0.417 . . . . 0.0 111.566 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.401 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 22.3 p -90.02 164.83 14.36 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.164 175.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -56.53 -43.02 79.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.658 0.266 . . . . 0.0 111.038 -177.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.4 t -57.56 -42.02 82.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.055 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -70.79 -40.92 72.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.573 0.701 . . . . 0.0 109.887 177.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.464 ' O ' HG23 ' A' ' 45' ' ' VAL . 35.1 mt-30 -65.27 -35.49 81.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.82 -177.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.07 -46.7 89.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.019 0.437 . . . . 0.0 111.047 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -69.57 -32.1 70.67 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.823 -178.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.558 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 83.6 t80 -66.65 -49.34 66.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.726 176.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 41' ' ' GLN . 90.1 t -65.27 -36.7 78.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 110.745 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.97 -38.87 80.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.061 0.457 . . . . 0.0 110.918 176.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 22.8 tp -67.42 -38.54 84.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.665 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 44' ' ' PHE . 96.6 mt -60.48 -23.19 64.29 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -169.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -73.24 -14.78 61.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.001 0.429 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.8 m -116.55 -160.91 0.78 Allowed 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 176.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.465 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 33.1 m-20 -108.82 177.2 4.84 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 174.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.808 ' HB2' ' HB2' ' A' ' 55' ' ' LEU . 0.5 OUTLIER -123.49 63.79 27.19 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.592 -178.103 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.465 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 24.3 Cg_exo -62.73 -52.99 1.92 Allowed 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.321 2.014 . . . . 0.0 112.274 -177.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.408 ' O ' ' HD1' ' A' ' 58' ' ' TRP . 55.2 m-20 -69.3 -34.09 74.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.208 0.528 . . . . 0.0 110.146 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.808 ' HB2' ' HB2' ' A' ' 52' ' ' ASP . 67.4 mt -70.94 -38.33 72.86 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.17 -178.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -57.36 -37.15 72.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.481 0.657 . . . . 0.0 109.915 174.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.47 -26.53 64.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.298 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.408 ' HD1' ' O ' ' A' ' 54' ' ' ASP . 12.9 m95 -67.16 -35.99 80.87 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.904 0.383 . . . . 0.0 110.204 174.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 43.1 t -66.91 -31.48 53.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.446 177.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 92.4 mmm -89.06 -11.3 44.48 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.959 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.05 46.43 6.64 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.772 177.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -168.4 47.72 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -120.63 -179.65 16.28 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.338 -0.934 . . . . 0.0 113.472 -175.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -140.0 122.47 16.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.092 0.473 . . . . 0.0 110.657 178.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 49.0 t -142.66 108.51 5.15 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -79.94 -33.74 39.42 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.747 -173.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.4 HD21 HD12 ' A' ' 70' ' ' LEU . 13.1 p-10 -86.85 96.75 10.32 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.647 0.737 . . . . 0.0 109.306 178.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.1 mt -67.33 -6.81 20.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.123 -174.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.45 -41.54 99.56 Favored Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 170.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.48 ' O ' ' HG3' ' A' ' 73' ' ' MET . 13.6 mt -71.67 -48.77 45.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.075 0.464 . . . . 0.0 110.465 174.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.74 -27.43 67.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.509 -178.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.3 -50.54 73.59 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.103 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.579 ' O ' HG13 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -72.12 -29.36 64.0 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.35 -178.042 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.652 HG21 HD22 ' A' ' 55' ' ' LEU . 96.5 t -63.85 -45.82 96.01 Favored 'Isoleucine or valine' 0 C--O 1.231 0.105 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 175.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -57.18 -41.68 79.77 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.49 177.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -65.85 -33.99 77.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.739 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.63 HG12 ' CE2' ' A' ' 28' ' ' PHE . 73.4 mt -69.09 -48.14 71.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.918 0.389 . . . . 0.0 110.371 174.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.553 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 95.2 t -58.95 -39.35 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.493 -177.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.63 -38.72 72.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.344 . . . . 0.0 111.31 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -72.6 -35.65 67.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.606 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -68.85 -35.69 77.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.172 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 81.3 mt -55.51 -33.73 64.0 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -178.034 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.687 ' HA ' ' HG2' ' A' ' 86' ' ' ARG . 62.5 p -73.67 -31.1 63.29 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.752 -179.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -65.83 -42.72 90.23 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 173.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.94 -43.16 92.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.938 -177.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.687 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 14.9 ptm180 -72.99 -24.88 60.82 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.188 -179.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.691 HD22 ' HG3' ' A' ' 88' ' ' GLU . 1.0 OUTLIER -77.01 -75.59 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.752 -178.71 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.691 ' HG3' HD22 ' A' ' 87' ' ' LEU . 42.6 mt-10 -123.64 18.89 9.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.243 -176.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 70.41 -161.72 0.15 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.527 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 31.0 p-80 -143.84 167.82 21.4 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 -176.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -128.11 119.57 25.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.339 0.59 . . . . 0.0 111.076 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 178.3 -65.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.446 ' O ' ' HB2' ' A' ' 94' ' ' HIS . 1.4 m-70 -144.71 124.53 13.41 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 165.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.446 ' HB2' ' O ' ' A' ' 93' ' ' HIS . 52.9 m-70 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.985 -169.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -137.24 119.26 15.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.998 0.428 . . . . 0.0 110.924 -176.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.6 p -99.15 -172.31 2.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.851 176.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.29 -30.69 70.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.067 0.461 . . . . 0.0 110.524 175.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -71.8 -41.18 68.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.392 178.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.556 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 17.6 mm-40 -69.64 -32.96 71.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.145 176.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -66.42 -34.03 77.05 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.832 177.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.588 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . . . -64.71 -40.53 95.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.913 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 6' ' ' GLN . 16.6 ptm180 -69.64 -28.97 66.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.083 0.468 . . . . 0.0 110.182 179.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 78.0 mt -74.19 -48.63 36.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.781 176.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.588 ' HG2' ' HA ' ' A' ' 8' ' ' ALA . 22.3 ptmt -62.3 -36.21 81.42 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.286 -178.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 16.7 m95 -72.3 -21.74 61.3 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.205 -0.309 . . . . 0.0 111.703 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.39 -49.4 11.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.706 0.288 . . . . 0.0 111.099 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.7 p -73.67 -46.42 46.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.922 0.391 . . . . 0.0 111.115 -178.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.473 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 28.0 ttm180 -81.58 169.0 17.6 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.473 ' HB2' ' O ' ' A' ' 15' ' ' ARG . 8.7 mpt_? 72.29 -56.61 0.64 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 122.893 0.477 . . . . 0.0 109.874 -172.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.97 -57.7 6.14 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 121.075 -0.583 . . . . 0.0 111.866 176.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.562 ' HB3' ' HB2' ' A' ' 21' ' ' LEU . 25.3 mmt -115.51 97.96 6.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.762 0.315 . . . . 0.0 110.976 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 72.1 mt -81.19 -25.89 36.41 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.979 0.419 . . . . 0.0 110.644 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -81.03 -31.8 34.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.981 178.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.562 ' HB2' ' HB3' ' A' ' 18' ' ' MET . 90.4 mt -94.49 -8.92 37.02 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -173.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -56.54 -38.37 71.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.295 0.569 . . . . 0.0 110.47 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.3 t -61.19 -28.06 43.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.695 -177.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.439 ' HA ' ' CD1' ' A' ' 28' ' ' PHE . 34.8 m -105.19 6.79 10.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.42 -177.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 82.8 mt -112.47 -65.2 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.546 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 64.6 mtp -58.95 -54.4 56.81 Favored Pre-proline 0 N--CA 1.466 0.368 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -172.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -68.36 -34.85 19.87 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 121.424 1.416 . . . . 0.0 112.33 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.598 ' HZ ' ' HD3' ' A' ' 84' ' ' LYS . 48.0 m-85 -69.46 -36.93 77.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.204 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -61.76 -41.4 97.64 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 177.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.546 ' HG3' ' O ' ' A' ' 26' ' ' MET . 32.5 mt-10 -61.56 -35.32 77.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.63 0.729 . . . . 0.0 110.426 178.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -72.33 -51.52 20.31 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.027 177.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.508 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 85.6 m -74.79 -24.21 58.62 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -175.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -52.28 -37.32 55.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.113 0.482 . . . . 0.0 111.094 177.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -70.48 -31.68 68.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.213 177.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.1 t -99.48 5.82 46.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.269 -173.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 92.5 mt -117.29 154.48 31.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.875 0.369 . . . . 0.0 110.929 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.413 ' C ' HE21 ' A' ' 41' ' ' GLN . 25.1 p -96.36 170.49 9.2 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 172.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -56.08 -41.23 74.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.834 0.35 . . . . 0.0 110.828 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.9 m -54.83 -49.15 71.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.393 178.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.8 -39.1 90.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.628 0.728 . . . . 0.0 110.112 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.444 ' O ' HG23 ' A' ' 45' ' ' VAL . 37.6 mt-30 -62.29 -39.59 93.47 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.577 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -62.47 -41.08 98.53 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.467 0.651 . . . . 0.0 110.734 177.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -64.55 -42.99 95.34 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.637 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -65.25 -45.98 82.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.295 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 41' ' ' GLN . 73.0 t -61.3 -36.95 76.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 110.865 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.52 -39.7 84.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.221 175.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.48 HD13 HD12 ' A' ' 55' ' ' LEU . 10.6 mt -63.75 -35.58 81.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.873 178.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 98.5 mt -56.7 -35.81 68.92 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -177.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -86.54 -12.42 48.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.986 0.422 . . . . 0.0 111.435 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.0 m -87.79 -170.31 2.95 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.871 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.535 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 11.6 m-20 -91.25 169.79 10.53 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.247 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.559 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 15.2 p-10 -125.81 50.72 4.83 Favored Pre-proline 0 CA--C 1.539 0.546 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -174.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.559 ' HD3' ' N ' ' A' ' 52' ' ' ASP . 0.9 OUTLIER -84.68 -55.91 0.03 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.735 0 C-N-CA 121.673 1.582 . . . . 0.0 111.812 -179.026 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.491 ' O ' ' HD1' ' A' ' 58' ' ' TRP . 12.6 p-10 -70.5 -33.24 70.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.024 176.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.48 HD12 HD13 ' A' ' 47' ' ' LEU . 6.3 tt -58.89 -49.37 78.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.762 177.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -58.33 -39.91 80.71 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.511 178.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.28 -37.36 83.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.903 -176.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.491 ' HD1' ' O ' ' A' ' 54' ' ' ASP . 22.7 m95 -67.06 -41.56 86.23 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 120.726 0.298 . . . . 0.0 111.266 -179.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.525 ' HA ' HG22 ' A' ' 78' ' ' VAL . 48.6 t -65.67 -32.31 57.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.588 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 25.7 ttt -82.19 -21.62 36.36 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.191 -179.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.44 22.29 10.6 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.9 -0.667 . . . . 0.0 113.674 174.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 26.1 m80 -143.07 43.28 1.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 122.372 -0.487 . . . . 0.0 110.401 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.543 ' C ' ' HD2' ' A' ' 64' ' ' ARG . . . -119.05 146.85 18.39 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.027 -1.082 . . . . 0.0 113.782 -172.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.543 ' HD2' ' C ' ' A' ' 63' ' ' GLY . 4.8 mpt_? -126.52 144.02 51.01 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 170.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.406 ' HB2' ' NE1' ' A' ' 58' ' ' TRP . 15.3 t -129.41 160.82 31.92 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.218 -171.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -60.23 -49.75 76.36 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.896 177.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -127.05 133.9 50.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.398 -175.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 24.7 mt -75.84 -18.31 59.51 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -177.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.03 -41.29 97.91 Favored Glycine 0 N--CA 1.453 -0.195 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 173.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.452 HD22 HD11 ' A' ' 47' ' ' LEU . 16.8 mt -58.12 -49.35 77.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.446 0.641 . . . . 0.0 110.069 172.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.07 -26.49 68.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.743 -177.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.15 -51.99 66.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.728 0.299 . . . . 0.0 111.575 -178.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.423 ' HE1' HD12 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -73.62 -28.81 62.0 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.151 -178.744 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.479 ' O ' HG23 ' A' ' 78' ' ' VAL . 88.7 t -68.71 -37.42 77.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.104 0.478 . . . . 0.0 110.197 174.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -60.04 -37.88 81.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.979 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -65.06 -34.85 79.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.409 177.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 68.7 mt -67.98 -46.34 82.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.054 175.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.525 HG22 ' HA ' ' A' ' 59' ' ' VAL . 57.5 t -58.61 -46.52 90.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.83 179.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.93 -40.52 84.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.056 0.455 . . . . 0.0 111.257 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -67.91 -38.2 82.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.796 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.496 ' O ' HG23 ' A' ' 85' ' ' VAL . 64.2 t30 -69.86 -44.06 70.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.749 179.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.5 mt -56.75 -34.78 67.89 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 120.909 0.385 . . . . 0.0 111.284 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.623 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 23.7 m -66.65 -48.42 69.45 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.965 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.598 ' HD3' ' HZ ' ' A' ' 28' ' ' PHE . 12.2 ptmm? -69.16 -23.34 63.93 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.855 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 81' ' ' ASN . 72.5 t -75.99 -42.74 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.849 0.357 . . . . 0.0 110.271 176.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' ' 83' ' ' SER . 7.0 ptm180 -71.24 -20.92 62.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 -177.242 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 83' ' ' SER . 76.3 mt -61.5 -44.08 97.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.958 176.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 69.42 -37.99 0.39 Allowed 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -66.06 86.97 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.941 0.401 . . . . 0.0 110.799 -178.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -179.29 172.82 1.17 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.472 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -128.64 120.55 26.79 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.912 0.387 . . . . 0.0 110.479 175.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -63.63 135.48 56.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.964 -178.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -97.47 -12.21 22.92 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 175.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.243 0.713 0 CA-C-N 114.519 -1.218 . . . . 0.0 108.475 172.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.404 ' HB2' ' HB2' ' A' ' 6' ' ' GLN . 33.7 p90 -143.27 143.27 31.65 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.908 0.385 . . . . 0.0 111.461 -174.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.8 p -101.72 -176.49 3.15 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.648 174.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.23 -30.09 69.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.04 0.447 . . . . 0.0 110.447 176.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -64.06 -47.54 79.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.549 178.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.404 ' HB2' ' HB2' ' A' ' 2' ' ' TYR . 17.1 mt-30 -69.66 -35.78 75.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.566 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -61.02 -33.31 73.07 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.363 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.54 -41.79 86.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.911 0.386 . . . . 0.0 110.33 176.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -67.12 -36.43 81.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.079 0.466 . . . . 0.0 110.22 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.9 mt -64.34 -43.78 97.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.431 177.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -57.93 -38.37 75.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.953 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -72.08 -27.45 62.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.009 177.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.406 ' O ' ' HD3' ' A' ' 16' ' ' ARG . . . -77.41 -10.48 59.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.41 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.483 ' HB3' ' HB2' ' A' ' 22' ' ' ASP . 80.6 m -70.19 -28.19 65.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.144 0.497 . . . . 0.0 110.605 175.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 -84.3 83.67 7.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.613 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.406 ' HD3' ' O ' ' A' ' 13' ' ' ALA . 1.4 mpt_? -113.12 -80.82 0.59 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.929 174.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -129.57 -11.59 2.67 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.286 -0.959 . . . . 0.0 112.622 175.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.414 ' CG ' ' HG ' ' A' ' 21' ' ' LEU . 11.8 tpt -138.98 99.17 3.7 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.768 -0.254 . . . . 0.0 111.142 -175.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 72.7 mt -63.92 -29.53 70.69 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.002 0.43 . . . . 0.0 111.213 179.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -63.05 -19.26 64.22 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.489 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.52 ' O ' HG12 ' A' ' 25' ' ' ILE . 78.2 mt -72.85 -29.57 63.32 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-N 116.748 -0.205 . . . . 0.0 111.185 177.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.483 ' HB2' ' HB3' ' A' ' 14' ' ' CYS . 4.2 t70 -50.77 -38.72 49.62 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.088 0.471 . . . . 0.0 111.592 -177.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 38.5 t -71.02 -34.85 56.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.748 -177.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.413 ' HA ' ' CE1' ' A' ' 28' ' ' PHE . 35.2 m -102.51 2.37 10.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -173.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.52 HG12 ' O ' ' A' ' 21' ' ' LEU . 44.1 mm -105.28 -59.03 3.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.521 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.61 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 12.2 tmm? -61.32 -54.19 55.41 Favored Pre-proline 0 CA--C 1.54 0.573 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -171.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.61 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 22.5 Cg_exo -65.62 -33.15 46.31 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 121.793 1.662 . . . . 0.0 112.112 -177.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.413 ' CE1' ' HA ' ' A' ' 24' ' ' VAL . 1.5 m-85 -69.15 -36.09 77.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.081 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.549 ' HZ ' ' NE2' ' A' ' 41' ' ' GLN . 27.9 t80 -64.49 -37.32 87.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.963 177.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -58.47 -36.7 74.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.495 0.664 . . . . 0.0 110.462 178.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -76.02 -51.36 12.48 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.034 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.436 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 62.2 m -63.82 -30.99 72.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.779 0.323 . . . . 0.0 111.62 -177.124 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -54.6 -34.24 61.7 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 123.174 0.589 . . . . 0.0 111.439 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -55.93 -39.74 72.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.96 0.41 . . . . 0.0 111.007 177.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.1 m -95.5 -1.1 51.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.048 0.451 . . . . 0.0 111.233 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 96.5 mt -99.02 143.26 29.5 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.101 0.477 . . . . 0.0 110.763 176.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.3 p -86.89 169.81 12.19 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.181 175.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -55.57 -38.47 69.39 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.875 0.369 . . . . 0.0 111.261 177.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.5 m -58.33 -47.2 84.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.781 177.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -70.9 -34.29 71.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.395 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.549 ' NE2' ' HZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -57.96 -41.29 82.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.268 175.143 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -65.51 -45.29 84.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.708 177.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -58.71 -41.02 85.33 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.509 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.568 ' HD2' ' HB3' ' A' ' 73' ' ' MET . 31.4 t80 -67.73 -44.9 76.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.945 -178.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 41' ' ' GLN . 97.6 t -60.81 -42.86 93.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.773 0.32 . . . . 0.0 110.45 178.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.96 -36.09 69.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.203 177.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.23 -45.01 93.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.991 178.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.6 mt -70.14 -25.78 63.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.225 -178.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -74.09 -14.18 60.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.046 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.4 t -96.03 -168.26 1.72 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 176.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.584 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 8.7 t70 -93.25 -178.59 4.81 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 179.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.537 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 23.9 p30 -122.43 50.29 2.6 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -176.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.584 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 1.1 Cg_endo -83.89 -56.72 0.03 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 121.76 1.64 . . . . 0.0 111.71 -179.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.475 ' O ' ' HD1' ' A' ' 58' ' ' TRP . 37.3 t70 -69.96 -36.42 75.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.177 177.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.0 tt -58.68 -45.37 89.58 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.072 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -57.83 -33.95 69.18 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 121.13 0.491 . . . . 0.0 110.327 177.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.78 -29.04 61.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.783 -178.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.601 ' HZ2' ' H ' ' A' ' 65' ' ' CYS . 31.8 m95 -70.0 -35.27 74.25 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.698 177.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 51.2 t -68.34 -29.63 44.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.407 178.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 67.5 mtm -85.85 -14.64 44.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.497 175.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.36 44.4 5.9 Favored Glycine 0 N--CA 1.45 -0.369 0 CA-C-N 115.904 -0.589 . . . . 0.0 113.195 175.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -158.91 32.49 0.21 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.997 0.398 . . . . 0.0 110.625 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.415 ' HA3' ' CD1' ' A' ' 58' ' ' TRP . . . -98.8 173.2 26.62 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.202 -179.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -155.02 93.9 1.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.304 0.573 . . . . 0.0 110.96 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.601 ' H ' ' HZ2' ' A' ' 58' ' ' TRP . 86.5 m -75.44 163.2 27.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.836 179.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -59.17 -46.21 89.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.123 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -134.92 154.94 51.49 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.183 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.3 mt -75.15 -17.23 60.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.37 -176.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.69 -46.97 88.51 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.013 174.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 89.2 mt -71.27 -31.69 67.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.065 0.459 . . . . 0.0 110.507 176.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.91 -30.93 69.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.221 -178.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.481 ' O ' ' HG3' ' A' ' 76' ' ' LYS . . . -61.15 -30.35 70.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.968 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.568 ' HB3' ' HD2' ' A' ' 44' ' ' PHE . 17.6 mmt -65.4 -47.29 76.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.743 178.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.42 ' O ' HG23 ' A' ' 78' ' ' VAL . 38.9 t -66.22 -37.94 80.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.133 177.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -54.39 -47.23 72.94 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.251 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 72' ' ' ALA . 88.3 mttt -67.34 -34.41 77.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.146 -178.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 82.6 mt -66.78 -48.42 79.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.083 175.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 74' ' ' VAL . 96.9 t -62.39 -36.8 76.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.935 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.61 -41.86 86.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.044 0.449 . . . . 0.0 110.889 177.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -71.73 -44.72 63.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.569 177.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.451 ' O ' HG23 ' A' ' 85' ' ' VAL . 57.9 t30 -64.54 -36.66 84.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.22 -177.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.1 tp -54.66 -38.79 67.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.131 0.491 . . . . 0.0 111.028 -178.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.593 ' HA ' ' HG2' ' A' ' 86' ' ' ARG . 10.5 t -67.9 -36.99 81.18 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.478 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -70.5 -31.29 68.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.111 0.482 . . . . 0.0 110.37 175.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 81' ' ' ASN . 75.4 t -68.79 -36.2 73.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.725 178.015 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.593 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 15.9 ptm180 -81.25 -30.2 34.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.365 177.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.2 tt -59.06 -52.82 64.12 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 174.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.502 ' HB3' ' CD2' ' A' ' 90' ' ' HIS . 34.5 mt-10 -104.41 76.04 1.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.023 173.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -80.53 77.27 7.35 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.56 0.695 . . . . 0.0 109.976 -178.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.502 ' CD2' ' HB3' ' A' ' 88' ' ' GLU . 20.2 p80 -141.08 -178.42 5.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.107 176.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -59.59 128.53 37.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.045 0.45 . . . . 0.0 111.38 -177.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.427 ' CE1' HG13 ' A' ' 85' ' ' VAL . 51.8 m80 -109.82 -26.45 9.8 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.535 177.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -82.28 119.46 24.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.197 173.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 . . . . . 0 C--O 1.244 0.794 0 CA-C-O 118.397 -0.811 . . . . 0.0 110.03 -178.667 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.6 ttm . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.462 0.172 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -62.44 118.72 7.9 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 178.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.519 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 30.2 p -71.72 167.27 20.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.182 0.515 . . . . 0.0 112.118 -173.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.23 96.33 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.321 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -62.38 -40.01 95.05 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.242 0.544 . . . . 0.0 109.661 178.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -69.62 -31.56 69.75 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.857 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.519 ' HG3' ' O ' ' A' ' 3' ' ' THR . 60.2 mttp -61.97 -34.07 75.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.728 0.299 . . . . 0.0 110.968 176.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.27 -36.22 82.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.099 0.476 . . . . 0.0 110.545 177.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -67.31 -31.8 72.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.555 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 72.6 mt -64.76 -43.67 96.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.008 174.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.53 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 99.6 mttt -57.4 -41.64 80.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.586 176.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.7 m95 -63.85 -27.16 68.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.315 178.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.554 ' HB1' ' HB3' ' A' ' 48' ' ' LEU . . . -73.92 -36.85 64.73 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.868 0.366 . . . . 0.0 110.579 177.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 81.9 m -65.1 -25.79 67.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.289 0.566 . . . . 0.0 110.437 176.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.53 ' HG2' ' O ' ' A' ' 11' ' ' LYS . 15.3 mmt180 -75.83 -1.51 25.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.879 178.128 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.433 ' NE ' ' HA ' ' A' ' 16' ' ' ARG . 2.2 mmp_? -98.32 101.44 12.9 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 122.083 -0.386 . . . . 0.0 111.443 -174.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.14 -48.23 2.4 Favored Glycine 0 CA--C 1.52 0.349 0 CA-C-N 115.916 -0.584 . . . . 0.0 114.148 172.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.601 ' HB2' ' HB2' ' A' ' 21' ' ' LEU . 21.0 ptp -79.96 50.26 1.18 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.071 0.462 . . . . 0.0 111.465 -175.329 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.1 mt -53.84 -41.41 67.4 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -175.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -77.8 -20.81 52.61 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.357 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.601 ' HB2' ' HB2' ' A' ' 18' ' ' MET . 95.3 mt -86.25 -25.18 25.69 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.647 0.261 . . . . 0.0 110.348 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -52.58 -45.75 66.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.074 177.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.0 t -69.47 -28.4 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.234 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.541 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 60.9 t -85.99 -46.29 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.32 -176.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 80.5 mt -69.71 -33.86 58.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.671 -176.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.72 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 44.1 ttm -51.5 -53.97 44.16 Favored Pre-proline 0 CA--C 1.543 0.69 0 N-CA-C 113.067 0.765 . . . . 0.0 113.067 -175.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.72 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 12.7 Cg_exo -72.14 -29.68 14.22 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 121.935 1.757 . . . . 0.0 112.801 178.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.0 m-30 -68.24 -43.37 78.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.994 0.426 . . . . 0.0 110.08 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -56.57 -40.62 75.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.956 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -60.86 -41.95 96.92 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.914 0.388 . . . . 0.0 111.706 -176.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -85.62 -35.82 20.74 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.359 -0.382 . . . . 0.0 112.0 -178.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.478 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 73.7 m -80.58 -22.27 40.86 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -176.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.545 ' HA ' HD12 ' A' ' 36' ' ' LEU . 84.7 t80 -55.38 -35.09 64.91 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 -178.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -57.15 -36.58 70.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.028 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.3 m -96.73 -5.35 38.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.966 0.412 . . . . 0.0 110.987 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' A' ' 33' ' ' PHE . 71.6 mt -77.16 104.09 7.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.221 176.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.579 ' OG1' ' HG2' ' A' ' 40' ' ' GLU . 72.4 p -70.64 172.7 8.19 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 174.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -57.46 -38.06 73.88 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.248 0.547 . . . . 0.0 109.777 177.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.6 m -64.38 -48.72 74.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.605 177.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.579 ' HG2' ' OG1' ' A' ' 37' ' ' THR . 6.2 mm-40 -58.48 -42.98 88.76 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.626 0.727 . . . . 0.0 109.328 177.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.463 HE21 ' CA ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -63.09 -39.69 95.45 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.298 178.309 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -64.2 -46.22 84.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.848 0.356 . . . . 0.0 110.904 -176.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.503 ' HB3' HD23 ' A' ' 70' ' ' LEU . 0.8 OUTLIER -60.04 -41.36 92.11 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.701 178.242 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.549 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 18.9 t80 -67.03 -45.06 78.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.798 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 41' ' ' GLN . 79.4 t -64.39 -40.55 89.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 120.567 0.222 . . . . 0.0 111.201 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.75 -39.44 84.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.356 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.522 ' HB3' ' OD2' ' A' ' 52' ' ' ASP . 9.6 mt -67.86 -49.84 59.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.05 177.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.554 ' HB3' ' HB1' ' A' ' 13' ' ' ALA . 92.7 mt -56.42 -18.65 11.85 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.66 1.355 . . . . 0.0 114.66 -169.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -62.04 -49.78 74.65 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.43 -0.508 . . . . 0.0 111.824 -175.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.3 m -159.9 116.53 2.52 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.795 0.331 . . . . 0.0 111.399 176.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.7 t70 67.42 123.67 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 114.701 -1.136 . . . . 0.0 112.854 173.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.522 ' OD2' ' HB3' ' A' ' 47' ' ' LEU . 3.0 m-20 -118.01 78.13 12.84 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.885 -178.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -74.25 -44.25 0.45 Allowed 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.228 1.952 . . . . 0.0 112.025 -178.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.21 -44.67 92.27 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.263 0.554 . . . . 0.0 109.905 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.452 ' O ' HG23 ' A' ' 59' ' ' VAL . 0.6 OUTLIER -60.72 -49.91 75.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.139 179.774 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -60.28 -39.64 87.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.329 -177.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.98 -43.71 64.7 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -176.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.411 ' HE1' ' HB2' ' A' ' 65' ' ' CYS . 27.0 m95 -70.54 -29.59 66.1 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.53 -176.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 55' ' ' LEU . 78.1 t -69.45 -41.33 80.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 C-N-CA 121.228 -0.189 . . . . 0.0 111.103 178.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 18.3 ptp -77.51 -22.35 51.31 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.834 -178.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.5 30.7 6.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.426 178.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -131.52 42.49 3.18 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 178.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.435 ' O ' ' HB2' ' A' ' 64' ' ' ARG . . . -84.37 -118.43 0.77 Allowed Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 114.969 -1.014 . . . . 0.0 114.321 -169.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 63' ' ' GLY . 55.4 mtt180 70.1 132.87 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.76 0.824 . . . . 0.0 109.755 -164.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.411 ' HB2' ' HE1' ' A' ' 58' ' ' TRP . 52.1 t -155.11 164.51 38.75 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.249 -173.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -77.38 -34.05 55.02 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.556 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.539 ' ND2' ' HG ' ' A' ' 70' ' ' LEU . 19.2 t30 -113.36 112.21 23.28 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.208 -177.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 24.6 mt -75.18 -14.2 60.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.606 -178.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -59.93 -38.85 94.75 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.279 174.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.539 ' HG ' ' ND2' ' A' ' 67' ' ' ASN . 96.1 mt -61.45 -43.38 98.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.239 0.542 . . . . 0.0 110.216 175.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.2 -31.26 69.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.529 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.87 -45.83 85.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.513 -177.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.757 ' HA ' ' HE2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -74.19 -28.51 61.31 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.103 179.837 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 70' ' ' LEU . 90.9 t -69.03 -39.92 80.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.646 0.26 . . . . 0.0 111.06 178.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -59.4 -34.69 72.76 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.982 0.42 . . . . 0.0 110.866 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.757 ' HE2' ' HA ' ' A' ' 73' ' ' MET . 40.5 mttm -62.44 -38.08 88.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.08 177.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 75.5 mt -68.63 -38.79 79.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.073 177.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.527 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 76.1 t -60.08 -42.55 90.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.532 178.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.79 -41.09 77.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.052 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -72.16 -39.87 68.4 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.966 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.527 ' ND2' ' HA ' ' A' ' 78' ' ' VAL . 8.0 p30 -67.32 -33.44 75.27 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.163 -178.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.3 tp -56.77 -38.32 72.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.35 0.595 . . . . 0.0 109.814 173.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.442 ' HA ' ' HG2' ' A' ' 86' ' ' ARG . 33.6 m -70.19 -31.15 68.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.708 177.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -66.51 -35.68 80.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.171 175.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 81' ' ' ASN . 59.3 t -69.24 -37.21 75.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.84 -179.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.442 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 30.0 ptt180 -79.11 -16.7 56.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.248 0.547 . . . . 0.0 110.789 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 52.5 tp -90.36 -48.19 7.28 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.637 175.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 85' ' ' VAL . 14.5 mt-10 51.86 -99.88 0.08 Allowed 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 123.744 0.818 . . . . 0.0 112.63 -177.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -145.68 44.89 1.29 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.391 -172.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 54.6 m80 -63.07 -34.27 77.23 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 171.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 32.4 p80 -126.83 140.22 52.52 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 169.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -137.51 123.23 19.91 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -173.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -172.0 157.47 4.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.027 171.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.9 p80 . . . . . 0 C--O 1.246 0.875 0 CA-C-O 118.575 -0.726 . . . . 0.0 110.275 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 tpt . . . . . 0 N--CA 1.482 1.165 0 CA-C-O 120.431 0.158 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.628 ' HA ' ' OE1' ' A' ' 6' ' ' GLN . 85.0 m-85 62.48 103.94 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.154 0.502 . . . . 0.0 111.144 -175.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.51 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 75.5 p -70.06 168.46 15.46 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.6 -177.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.47 -32.74 74.27 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.899 175.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -71.08 -40.38 71.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.345 176.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.628 ' OE1' ' HA ' ' A' ' 2' ' ' TYR . 58.8 tt0 -68.83 -29.7 68.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.927 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 3' ' ' THR . 38.1 mmtm -54.6 -31.99 57.96 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.504 176.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.31 -48.76 78.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.979 -174.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -62.39 -31.18 71.81 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.947 0.403 . . . . 0.0 111.096 -177.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.3 mt -69.9 -51.84 36.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.27 177.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -67.49 -39.09 85.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.74 -174.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 13.6 m95 -66.23 -23.25 66.39 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.716 0.294 . . . . 0.0 111.165 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.434 ' O ' ' HB3' ' A' ' 48' ' ' LEU . . . -112.03 25.08 11.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.909 0.385 . . . . 0.0 111.098 -175.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.6 t -64.17 -26.16 68.4 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.743 -178.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.8 mtp180 72.9 166.5 0.3 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.462 0.705 . . . . 0.0 111.482 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -147.43 17.42 1.17 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.39 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.88 -44.26 71.3 Favored Glycine 0 CA--C 1.522 0.521 0 CA-C-N 115.407 -0.815 . . . . 0.0 115.077 -171.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 15.7 tpt -149.22 128.22 12.69 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 117.699 0.75 . . . . 0.0 111.026 -171.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.455 ' O ' HG22 ' A' ' 23' ' ' VAL . 89.2 mt -56.34 -45.42 80.41 Favored 'General case' 0 C--N 1.332 -0.174 0 O-C-N 123.148 0.28 . . . . 0.0 111.719 -178.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -57.16 -30.4 64.44 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.708 0.29 . . . . 0.0 111.443 178.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.687 HD11 HG21 ' A' ' 59' ' ' VAL . 4.0 mm? -79.71 -55.53 4.94 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 176.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.32 -45.38 65.56 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.668 -176.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.531 HG23 HG13 ' A' ' 24' ' ' VAL . 34.0 m -70.57 -21.29 22.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -173.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.543 HG21 ' HB2' ' A' ' 81' ' ' ASN . 32.5 m -107.58 3.67 9.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.456 -0.498 . . . . 0.0 111.826 -177.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 21' ' ' LEU . 70.7 mt -103.84 -53.08 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 179.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.519 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 1.3 tmt? -56.64 -54.69 51.07 Favored Pre-proline 0 CA--C 1.54 0.588 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -171.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.519 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 58.7 Cg_endo -74.11 -25.87 13.39 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 121.492 1.462 . . . . 0.0 111.989 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.582 ' HZ ' ' HB3' ' A' ' 76' ' ' LYS . 78.6 t80 -69.32 -36.19 76.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.549 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -58.37 -38.87 78.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.879 0.371 . . . . 0.0 110.003 176.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -65.3 -41.63 93.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.502 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -70.6 -52.02 24.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.463 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.5 t -74.86 -20.8 59.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.199 -170.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -55.58 -36.04 66.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.96 0.409 . . . . 0.0 110.753 176.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -62.52 -32.32 73.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.254 177.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.1 t -92.68 -35.42 13.5 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.106 -176.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 78.7 mt -83.92 171.16 13.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.628 0.728 . . . . 0.0 111.868 -174.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.1 p -119.06 168.43 10.84 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.803 174.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -60.83 -33.79 73.57 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -177.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.4 m -54.9 -44.42 74.14 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.035 0.445 . . . . 0.0 110.887 175.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -71.71 -41.83 68.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.385 0.612 . . . . 0.0 110.31 177.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.523 ' O ' HG23 ' A' ' 45' ' ' VAL . 48.1 mt-30 -62.7 -37.87 88.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.399 -178.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -56.89 -45.79 82.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.192 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -62.48 -40.17 95.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.028 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -65.47 -44.37 87.4 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.113 176.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 41' ' ' GLN . 93.0 t -63.32 -45.62 97.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.1 -179.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.36 -34.29 73.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.969 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 33.7 tp -62.91 -40.86 98.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.632 177.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.434 ' HB3' ' O ' ' A' ' 13' ' ' ALA . 89.6 mt -59.54 -33.02 70.87 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.295 0.479 . . . . 0.0 112.295 -173.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -78.07 -14.52 59.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.233 0.539 . . . . 0.0 110.592 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.4 t -97.68 -154.72 0.46 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.435 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 1.4 t0 -123.14 171.79 9.05 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 177.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.519 ' O ' ' HB2' ' A' ' 56' ' ' PHE . 8.0 m-20 -124.5 66.62 45.94 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.979 -173.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.435 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 4.8 Cg_exo -76.38 -56.46 0.05 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.906 1.738 . . . . 0.0 111.832 -177.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.501 ' O ' ' HD1' ' A' ' 58' ' ' TRP . 5.7 p-10 -70.47 -41.09 73.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.777 178.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.507 HD22 HG21 ' A' ' 74' ' ' VAL . 91.1 mt -65.58 -36.96 85.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.874 -176.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.519 ' HB2' ' O ' ' A' ' 52' ' ' ASP . 32.8 t80 -56.58 -36.99 69.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.252 0.549 . . . . 0.0 110.044 173.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.56 ' HB1' ' O ' ' A' ' 62' ' ' HIS . . . -71.35 -31.2 67.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.172 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.501 ' HD1' ' O ' ' A' ' 54' ' ' ASP . 22.7 m95 -63.31 -45.29 92.04 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.822 0.344 . . . . 0.0 110.531 176.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.687 HG21 HD11 ' A' ' 21' ' ' LEU . 40.2 t -63.21 -37.68 80.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.295 0.569 . . . . 0.0 110.342 178.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.2 mmt -79.14 -7.67 58.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.215 179.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.6 26.28 43.24 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.314 -0.47 . . . . 0.0 113.821 171.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.56 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 2.3 m-70 -154.66 83.16 1.1 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 117.191 0.495 . . . . 0.0 111.528 179.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 174.14 151.71 8.5 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 119.622 -1.275 . . . . 0.0 113.349 176.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.419 ' C ' ' HE1' ' A' ' 58' ' ' TRP . 45.6 mtm180 -103.44 175.06 5.6 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 174.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 21.0 t -125.99 156.02 40.5 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.583 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -68.46 -43.76 76.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.059 0.457 . . . . 0.0 110.084 177.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -140.2 128.91 23.09 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.134 178.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 58.6 mt -73.81 -11.25 60.32 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -169.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.86 -47.69 84.37 Favored Glycine 0 C--N 1.324 -0.127 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.836 176.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.451 ' O ' HG23 ' A' ' 74' ' ' VAL . 74.0 mt -63.88 -47.21 81.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.071 0.463 . . . . 0.0 110.154 175.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.62 -28.41 68.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.074 -177.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.19 -50.84 70.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.691 0.282 . . . . 0.0 111.393 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -28.05 61.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.747 0.308 . . . . 0.0 110.725 179.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.507 HG21 HD22 ' A' ' 55' ' ' LEU . 73.7 t -65.92 -36.64 78.0 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.353 174.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -54.84 -41.99 71.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.596 177.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.594 ' HE2' ' HA ' ' A' ' 76' ' ' LYS . 8.2 mmpt? -58.97 -40.01 83.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.693 177.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.8 mt -69.97 -46.96 71.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.525 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.525 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 93.1 t -60.53 -43.87 95.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.832 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.98 -35.45 75.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.908 0.385 . . . . 0.0 110.806 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -71.27 -36.47 71.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.034 0.445 . . . . 0.0 109.875 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.543 ' HB2' HG21 ' A' ' 24' ' ' VAL . 21.1 t-20 -67.85 -39.39 83.81 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.807 177.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 89.4 mt -55.84 -33.12 64.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.474 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.48 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 32.0 m -66.01 -47.26 75.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.576 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.424 ' HE2' ' HB2' ' A' ' 84' ' ' LYS . 6.2 ptmm? -69.98 -26.03 63.89 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.263 178.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 53.2 t -73.44 -46.13 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.74 177.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' ' 83' ' ' SER . 36.4 ptt180 -69.69 -19.36 63.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.633 -179.101 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.448 ' HG ' ' HB2' ' A' ' 89' ' ' HIS . 62.6 tp -74.35 -23.41 59.02 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.515 177.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 58.96 29.06 18.46 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.353 178.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.448 ' HB2' ' HG ' ' A' ' 87' ' ' LEU . 6.9 t-80 -83.24 62.96 6.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.664 0.268 . . . . 0.0 111.391 -173.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 71.23 -49.83 0.68 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.002 0.921 . . . . 0.0 113.073 174.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.21 118.45 19.74 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -178.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 77.29 122.85 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.608 0 O-C-N 124.528 1.143 . . . . 0.0 110.113 -172.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -131.0 138.35 49.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.847 -175.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 57.6 t60 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.581 -0.723 . . . . 0.0 109.149 173.11 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.478 0.97 0 CA-C-O 120.905 0.383 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -133.4 99.96 4.68 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 176.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.533 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 24.5 p -85.74 -178.64 6.67 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.177 -176.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.04 -39.72 72.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.699 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -60.9 -44.5 97.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.974 0.416 . . . . 0.0 110.641 178.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -69.64 -32.01 70.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 3' ' ' THR . 34.5 mmtp -56.54 -41.36 76.67 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.023 0.439 . . . . 0.0 110.366 177.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.03 -45.07 74.96 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.439 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -61.96 -41.36 97.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.934 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 87.6 mt -64.23 -45.6 95.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.584 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.611 ' HA ' ' SG ' ' A' ' 14' ' ' CYS . 54.6 mtmt -66.3 -35.38 80.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.294 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.6 m0 -60.39 -33.88 73.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.661 174.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.416 ' O ' ' HB3' ' A' ' 48' ' ' LEU . . . -92.38 -2.29 56.45 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.327 -0.397 . . . . 0.0 112.064 -177.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.611 ' SG ' ' HA ' ' A' ' 11' ' ' LYS . 84.4 m -70.83 -24.89 62.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.408 0.623 . . . . 0.0 110.366 177.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 15' ' ' ARG . 56.0 mtt180 -91.83 -164.63 1.21 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.906 179.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 75.5 142.38 0.07 Allowed 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.612 0.57 . . . . 0.0 110.096 -178.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.68 -63.22 4.49 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.974 177.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.599 ' SD ' ' HG ' ' A' ' 21' ' ' LEU . 18.2 ttt -131.83 127.39 36.5 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.136 0.493 . . . . 0.0 111.638 -174.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.6 mt -75.65 -37.89 59.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.345 -176.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.403 ' HB2' ' CE ' ' A' ' 18' ' ' MET . 6.8 mp0 -64.92 -27.92 69.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 0.0 110.722 179.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.599 ' HG ' ' SD ' ' A' ' 18' ' ' MET . 20.8 mt -68.64 -39.15 80.86 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.75 179.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.84 -45.48 59.73 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.241 -0.436 . . . . 0.0 112.015 179.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.457 HG21 ' HB2' ' A' ' 94' ' ' HIS . 28.3 m -83.72 -10.6 11.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -173.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.405 HG22 ' HA ' ' A' ' 21' ' ' LEU . 33.7 m -110.53 -33.76 2.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -177.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 68.5 mt -63.77 -41.93 94.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -176.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.665 ' HB2' ' HD3' ' A' ' 27' ' ' PRO . 72.5 mtm -61.78 -53.94 55.92 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-O 119.388 -0.339 . . . . 0.0 111.657 -178.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.665 ' HD3' ' HB2' ' A' ' 26' ' ' MET . 46.0 Cg_exo -58.72 -41.47 63.12 Favored 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 122.151 1.901 . . . . 0.0 112.627 176.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -64.82 -37.06 86.34 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.78 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -61.49 -43.82 98.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.368 177.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.55 ' HG3' ' O ' ' A' ' 26' ' ' MET . 26.6 mt-10 -56.28 -41.09 75.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.294 0.569 . . . . 0.0 110.686 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -74.7 -51.39 14.42 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.798 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 58.0 m -77.23 -22.97 51.43 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -170.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -54.35 -39.12 66.81 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.777 0.322 . . . . 0.0 111.498 -178.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -69.73 -22.37 63.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.615 -178.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.9 m -99.58 -34.62 10.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.795 -175.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.9 mt -76.79 139.72 40.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.13 0.49 . . . . 0.0 111.843 -173.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.2 p -85.69 174.53 9.32 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.925 173.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -56.83 -46.99 81.32 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 111.476 0.176 . . . . 0.0 111.476 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.8 m -58.78 -45.24 90.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.742 0.306 . . . . 0.0 111.259 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.427 ' HB3' ' SD ' ' A' ' 73' ' ' MET . 44.8 mt-10 -65.34 -42.88 92.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.427 0.632 . . . . 0.0 110.151 177.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.445 ' O ' HG23 ' A' ' 45' ' ' VAL . 35.6 mt-30 -60.25 -40.3 89.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.333 177.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -61.2 -46.14 91.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.605 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.436 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 2.1 m-20 -67.49 -32.55 73.44 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.727 178.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -63.98 -45.7 87.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.26 177.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 41' ' ' GLN . 74.1 t -64.78 -41.05 91.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.167 177.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.43 -33.1 70.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.562 176.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 43' ' ' ASP . 72.2 mt -65.65 -38.17 88.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.034 177.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.466 HD22 ' HA ' ' A' ' 14' ' ' CYS . 88.1 mt -66.44 -27.38 67.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.255 0.55 . . . . 0.0 110.978 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -76.17 -13.71 60.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.937 177.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.4 m -102.02 171.33 7.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.195 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.651 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 0.7 OUTLIER -79.5 -169.34 1.87 Allowed 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 176.061 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.571 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 5.6 p-10 -116.02 48.11 0.59 Allowed Pre-proline 0 CA--C 1.545 0.776 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -175.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.651 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 7.0 Cg_endo -89.51 -49.1 0.03 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 121.539 1.493 . . . . 0.0 111.326 177.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.448 ' H ' ' HD2' ' A' ' 53' ' ' PRO . 6.4 m-20 -66.45 -39.56 88.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.363 177.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.456 ' O ' HG23 ' A' ' 59' ' ' VAL . 95.9 mt -60.99 -50.39 73.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.516 179.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -58.85 -46.3 88.07 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.473 0.654 . . . . 0.0 110.786 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.452 ' HB1' ' CA ' ' A' ' 63' ' ' GLY . . . -68.97 -35.97 77.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.704 -172.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -75.98 -30.75 58.7 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.726 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 55' ' ' LEU . 69.9 t -66.12 -40.36 86.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.622 0.249 . . . . 0.0 110.58 176.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.8 ptm -78.82 -21.25 47.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.039 0.447 . . . . 0.0 110.306 177.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.05 35.04 10.09 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.984 176.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -128.18 -3.09 5.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.107 0.48 . . . . 0.0 110.639 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.452 ' CA ' ' HB1' ' A' ' 57' ' ' ALA . . . -94.78 160.71 23.44 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.291 -0.957 . . . . 0.0 112.616 -176.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -129.02 140.58 51.56 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 49.7 t -149.67 122.43 8.67 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 177.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -67.08 -33.29 75.18 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.033 -175.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -82.61 95.49 7.8 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 50.0 mt -72.11 -14.5 61.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.901 -178.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.82 -47.14 92.7 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 169.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 66.6 mt -62.47 -41.37 98.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.232 0.539 . . . . 0.0 110.326 174.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.07 -24.41 66.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.828 -178.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.497 ' O ' ' HG2' ' A' ' 76' ' ' LYS . . . -57.44 -50.34 73.34 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.249 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.427 ' SD ' ' HB3' ' A' ' 40' ' ' GLU . 2.9 mpp? -68.98 -30.1 68.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.737 0.303 . . . . 0.0 110.948 179.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.488 ' O ' HG23 ' A' ' 78' ' ' VAL . 58.2 t -65.37 -42.55 93.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 176.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -58.89 -38.49 78.97 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.867 178.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 25.7 mmmt -59.49 -40.86 88.38 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.824 177.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 73.4 mt -71.26 -46.38 65.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.691 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.659 ' HA ' ' OD1' ' A' ' 81' ' ' ASN . 89.6 t -55.53 -47.32 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.397 -178.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.35 -38.59 80.76 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.125 0.488 . . . . 0.0 110.843 179.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -71.73 -46.88 57.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.938 -177.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.659 ' OD1' ' HA ' ' A' ' 78' ' ' VAL . 1.2 p-10 -70.81 -39.63 72.97 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.272 -176.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 82' ' ' LEU . 23.4 mt -61.78 -32.29 72.55 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.769 0.318 . . . . 0.0 111.025 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.4 t -64.22 -46.54 83.41 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.785 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.604 ' HG2' ' O ' ' A' ' 81' ' ' ASN . 14.4 ptmm? -70.04 -25.91 63.78 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.554 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 81' ' ' ASN . 70.2 t -70.24 -38.91 76.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.063 0.459 . . . . 0.0 110.072 178.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -70.32 -34.65 72.95 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.256 174.611 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.656 ' HG ' ' H ' ' A' ' 89' ' ' HIS . 57.2 tp -66.78 -60.97 2.21 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.391 -178.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 61.0 10.4 2.8 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.656 ' H ' ' HG ' ' A' ' 87' ' ' LEU . 23.4 t60 -94.56 17.33 13.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.341 0.591 . . . . 0.0 110.774 -174.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -129.68 159.21 37.16 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.198 175.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -84.68 165.58 17.78 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.744 0.307 . . . . 0.0 110.662 -179.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -71.59 107.33 4.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.78 -178.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -67.64 -19.04 65.17 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.395 -175.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.457 ' HB2' HG21 ' A' ' 23' ' ' VAL . 4.3 t-80 . . . . . 0 C--O 1.24 0.604 0 CA-C-O 118.651 -0.69 . . . . 0.0 109.319 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.959 0.409 . . . . 0.0 110.763 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.608 ' CD1' ' HG2' ' A' ' 6' ' ' GLN . 23.2 m-85 -107.81 124.29 49.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.064 177.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.8 p -111.01 -165.74 1.02 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.823 -176.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.32 -31.18 70.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.595 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.24 -42.09 94.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.065 0.46 . . . . 0.0 110.069 176.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.608 ' HG2' ' CD1' ' A' ' 2' ' ' TYR . 2.5 mp0 -69.21 -38.03 78.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.156 177.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.412 ' HB3' ' HE2' ' A' ' 7' ' ' LYS . 43.4 mtpt -61.47 -34.37 75.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.889 176.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.444 ' O ' ' HD1' ' A' ' 12' ' ' TRP . . . -62.63 -41.73 99.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.746 0.308 . . . . 0.0 110.932 178.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -62.45 -36.09 81.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.146 0.498 . . . . 0.0 109.719 178.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.2 mt -70.81 -42.61 77.45 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.449 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.216 176.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.6 tptt -52.58 -38.32 59.77 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.589 0.756 . . . . 0.0 112.084 -177.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.444 ' HD1' ' O ' ' A' ' 8' ' ' ALA . 38.8 m95 -72.1 -28.43 63.29 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.63 3.31 12.37 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -172.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 23.3 p -70.02 -26.8 64.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.809 0.338 . . . . 0.0 111.215 -175.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.5 ptt-85 -87.99 -3.17 58.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.396 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 56.62 -86.02 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 O-C-N 123.999 0.812 . . . . 0.0 110.966 -177.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.7 17.22 0.17 Allowed Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 175.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 44.7 tpp -136.98 118.01 14.32 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -174.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.7 mp -66.97 -23.26 65.93 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.082 -176.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -66.4 -24.21 66.43 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.826 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.406 ' HA ' HG12 ' A' ' 24' ' ' VAL . 87.1 mt -99.03 -18.13 17.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.817 -174.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -55.67 -44.42 77.24 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.069 0.461 . . . . 0.0 111.04 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.9 m -76.59 -14.93 14.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.652 -0.703 . . . . 0.0 112.609 -174.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.406 HG12 ' HA ' ' A' ' 21' ' ' LEU . 7.2 p -101.97 -21.2 5.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.021 -178.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 73.1 mt -94.46 -60.91 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.595 -178.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.605 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 28.3 ttt -66.36 -53.26 32.04 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 113.315 0.858 . . . . 0.0 113.315 -169.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.605 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 52.4 Cg_exo -57.17 -42.31 64.64 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.904 1.736 . . . . 0.0 112.444 -178.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -69.07 -36.62 77.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.526 178.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -62.96 -43.62 98.3 Favored 'General case' 0 C--O 1.214 -0.813 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.569 176.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -63.61 -34.55 78.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.139 0.495 . . . . 0.0 111.117 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -66.5 -51.51 55.89 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.972 176.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.508 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 33.4 m -75.81 -23.76 55.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.545 -176.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -54.86 -36.68 65.34 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 123.665 0.786 . . . . 0.0 111.853 -177.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -66.39 -22.51 66.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.043 0.449 . . . . 0.0 110.893 -178.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.3 t -101.02 -34.62 9.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.028 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 96.8 mt -65.79 152.96 43.17 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.278 0.561 . . . . 0.0 112.053 -176.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.0 p -104.66 173.81 6.15 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.051 176.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -60.7 -37.22 80.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.593 0.235 . . . . 0.0 111.17 -178.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.9 m -57.58 -41.32 80.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.887 0.375 . . . . 0.0 110.729 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -69.96 -47.51 62.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.52 0.676 . . . . 0.0 110.01 177.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.494 ' O ' HG23 ' A' ' 45' ' ' VAL . 51.4 mt-30 -58.16 -43.88 87.63 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.615 -1.175 . . . . 0.0 111.951 -177.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -67.12 -40.8 86.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.057 0.456 . . . . 0.0 111.062 -174.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -66.43 -42.09 88.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.737 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -68.18 -42.46 79.91 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.419 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 41' ' ' GLN . 77.6 t -61.83 -40.34 86.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.803 0.335 . . . . 0.0 110.233 177.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.8 -35.51 70.93 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.833 176.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.575 HD12 HD22 ' A' ' 70' ' ' LEU . 6.0 tt -66.57 -45.58 78.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.137 177.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.26 -28.49 70.06 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.965 0.412 . . . . 0.0 111.836 -177.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 45' ' ' VAL . 41.6 mt-10 -74.26 -21.41 59.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.206 0.527 . . . . 0.0 110.234 177.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.2 m -99.91 174.44 6.19 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.367 178.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.575 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 3.5 m-20 -71.91 158.42 36.07 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 175.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.506 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 7.2 p-10 -119.02 52.58 1.8 Allowed Pre-proline 0 CA--C 1.54 0.558 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -171.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.575 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 3.3 Cg_exo -76.95 -35.18 1.93 Allowed 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.348 1.365 . . . . 0.0 110.447 175.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -66.3 -44.12 84.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.205 177.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.445 ' O ' HG23 ' A' ' 59' ' ' VAL . 7.9 tt -59.02 -49.82 76.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.031 -178.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -62.67 -41.36 99.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.61 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.562 ' HB1' ' HA3' ' A' ' 63' ' ' GLY . . . -66.37 -38.21 87.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.891 -176.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.43 ' HZ2' ' H ' ' A' ' 65' ' ' CYS . 17.9 m95 -70.9 -35.9 72.5 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.896 -0.321 . . . . 0.0 111.689 -179.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 55' ' ' LEU . 87.2 t -65.19 -43.38 95.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.466 178.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 22.3 ttt -78.85 -15.09 58.82 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 121.016 0.436 . . . . 0.0 110.685 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.31 38.64 21.22 Favored Glycine 0 CA--C 1.518 0.233 0 C-N-CA 121.198 -0.525 . . . . 0.0 112.77 176.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 50.2 m170 -126.83 2.45 6.67 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.584 0.216 . . . . 0.0 111.584 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.562 ' HA3' ' HB1' ' A' ' 57' ' ' ALA . . . -126.73 158.65 20.82 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 119.809 -1.186 . . . . 0.0 113.865 -171.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.445 ' HD2' ' C ' ' A' ' 63' ' ' GLY . 6.3 mpt_? -131.13 143.14 50.42 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 174.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.43 ' H ' ' HZ2' ' A' ' 58' ' ' TRP . 25.5 p -111.61 157.27 20.61 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.496 -177.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -73.69 -37.69 65.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.156 0.503 . . . . 0.0 110.057 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -104.25 110.21 22.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.366 177.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 28.0 mt -74.7 -10.53 59.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.919 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.38 -38.61 94.99 Favored Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 171.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.575 HD22 HD12 ' A' ' 47' ' ' LEU . 69.4 mt -68.55 -32.9 73.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.278 0.561 . . . . 0.0 110.705 176.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.99 -24.49 64.23 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.662 178.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.18 -53.8 52.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.999 -177.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.476 ' SD ' ' HA ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -73.41 -28.51 62.04 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.945 -178.614 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.468 ' O ' HG23 ' A' ' 78' ' ' VAL . 78.8 t -65.66 -41.25 90.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.853 0.359 . . . . 0.0 110.274 175.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -64.14 -34.25 77.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.008 0.432 . . . . 0.0 110.112 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -65.31 -35.52 81.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.385 175.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 73' ' ' MET . 79.0 mt -65.98 -40.27 86.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.106 0.479 . . . . 0.0 109.747 173.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 74' ' ' VAL . 66.2 t -61.32 -35.2 64.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.503 175.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.99 -36.34 81.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.019 0.438 . . . . 0.0 110.915 177.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -71.32 -40.75 70.59 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 176.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.497 ' O ' HG23 ' A' ' 85' ' ' VAL . 48.9 t-20 -62.33 -38.75 90.64 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.836 177.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 29.0 tp -54.67 -36.59 64.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.945 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.474 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 26.1 t -71.1 -40.67 71.35 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.306 -178.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.418 ' HG2' ' HA ' ' A' ' 81' ' ' ASN . 11.6 ptmt -70.15 -27.22 64.38 Favored 'General case' 0 C--N 1.334 -0.106 0 C-N-CA 119.842 -0.743 . . . . 0.0 109.974 176.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 81' ' ' ASN . 73.9 t -65.93 -54.08 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 175.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.474 ' HG2' ' O ' ' A' ' 83' ' ' SER . 36.8 ptt180 -62.04 -22.34 65.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.953 0.406 . . . . 0.0 110.848 -179.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 54.1 tp -84.15 -56.03 3.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.671 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.405 ' O ' ' HD2' ' A' ' 90' ' ' HIS . 36.3 mt-10 -79.0 -23.63 44.27 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -174.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 -84.14 69.67 10.42 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 176.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.448 ' H ' ' CD2' ' A' ' 90' ' ' HIS . 6.4 p80 -79.02 103.8 9.21 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.97 -177.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -146.67 102.68 3.58 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.199 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -165.79 157.61 14.38 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 23.4 p-80 -63.37 108.2 1.27 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.639 0.733 . . . . 0.0 111.171 -174.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 82.4 t60 . . . . . 0 C--O 1.246 0.913 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.059 177.855 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.9 mtt . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.739 0.304 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.714 ' HA ' ' OE1' ' A' ' 6' ' ' GLN . 76.9 m-85 -100.94 113.73 26.96 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.099 0.476 . . . . 0.0 110.381 178.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.6 p -91.57 -177.02 4.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.017 -172.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.67 -34.64 67.56 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.96 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -62.79 -49.19 75.95 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 121.352 0.596 . . . . 0.0 110.102 177.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.714 ' OE1' ' HA ' ' A' ' 2' ' ' TYR . 86.3 mt-30 -69.68 -30.52 68.2 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.447 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 43.0 mttm -54.1 -44.24 71.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.794 -0.184 . . . . 0.0 110.97 177.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.28 -42.68 71.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.966 0.412 . . . . 0.0 110.666 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -64.76 -38.75 92.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.322 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 88.5 mt -72.0 -42.19 68.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.3 175.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.55 ' HE3' ' SD ' ' A' ' 26' ' ' MET . 80.3 tttt -55.11 -40.96 71.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.729 178.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -71.24 -30.91 66.91 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.266 177.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.98 -52.42 24.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.793 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.577 ' HB3' HD13 ' A' ' 48' ' ' LEU . 17.2 p -68.0 -25.75 65.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.045 -179.338 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.629 ' HG3' ' HB2' ' A' ' 22' ' ' ASP . 62.6 ttt-85 -61.46 -33.2 73.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.023 174.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.595 ' HG3' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER 61.22 -164.04 0.25 Allowed 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.367 176.002 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -93.92 2.51 69.4 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.904 175.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.4 ptp -124.59 131.39 53.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.058 0.456 . . . . 0.0 110.381 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.7 mt -69.77 -24.97 63.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.649 -169.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -61.59 -33.85 74.6 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.141 0.422 . . . . 0.0 112.141 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.595 HD12 ' HG3' ' A' ' 16' ' ' ARG . 53.8 mt -74.74 -26.81 60.04 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.528 -178.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.629 ' HB2' ' HG3' ' A' ' 15' ' ' ARG . 23.3 t70 -65.68 -31.05 71.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.423 0.63 . . . . 0.0 110.01 174.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.0 t -74.03 -24.91 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.283 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.548 HG22 ' HE2' ' A' ' 84' ' ' LYS . 47.9 t -109.82 -56.99 4.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -172.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.3 mt -79.14 -35.1 17.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.653 -0.248 . . . . 0.0 111.625 -170.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.55 ' SD ' ' HE3' ' A' ' 11' ' ' LYS . 16.4 tmm? -58.83 -53.39 66.86 Favored Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.491 -177.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' A' ' 26' ' ' MET . 39.0 Cg_endo -67.77 -27.13 38.09 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 121.457 1.438 . . . . 0.0 111.407 176.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -65.58 -38.92 90.91 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.127 178.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.46 ' HA ' ' HG ' ' A' ' 32' ' ' CYS . 47.0 t80 -57.48 -41.36 80.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.866 0.365 . . . . 0.0 110.739 178.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.75 -46.17 79.82 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.315 178.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -69.02 -51.29 40.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.106 -178.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.633 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 30.0 p -63.66 -39.56 94.64 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.201 -173.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -52.92 -42.63 65.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.822 0.344 . . . . 0.0 111.245 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -70.79 -21.8 62.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.095 0.474 . . . . 0.0 111.395 -178.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.9 t -104.82 -16.84 14.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.896 -173.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 37.2 mt -104.95 171.98 7.03 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.364 0.602 . . . . 0.0 111.268 -175.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 37.7 p -88.06 166.25 14.58 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.354 171.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.9 -34.75 78.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.255 0.55 . . . . 0.0 110.229 177.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 m -57.41 -50.06 74.22 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.852 176.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.424 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . 37.7 mt-10 -61.85 -42.63 99.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.28 177.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.508 ' O ' HG23 ' A' ' 45' ' ' VAL . 5.2 tt0 -57.22 -42.52 81.53 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.406 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.01 -45.43 92.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.136 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.25 -39.42 82.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.722 178.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -68.41 -40.15 81.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.796 178.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 41' ' ' GLN . 87.0 t -66.01 -43.0 92.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.572 178.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.12 -36.33 70.54 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.645 HD21 ' HB3' ' A' ' 70' ' ' LEU . 76.2 mt -62.98 -50.94 68.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.868 175.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.577 HD13 ' HB3' ' A' ' 14' ' ' CYS . 87.1 mt -66.44 -23.06 66.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.865 -175.018 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -75.15 -13.43 60.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.936 0.398 . . . . 0.0 110.932 177.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.7 m -96.53 -168.62 1.76 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 173.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.569 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 19.0 t70 -98.58 155.91 17.06 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 170.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.538 ' OD2' ' HD2' ' A' ' 16' ' ' ARG . 35.8 m-20 -113.93 54.48 0.66 Allowed Pre-proline 0 N--CA 1.472 0.65 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 -170.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.569 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 2.7 Cg_exo -77.47 -29.95 4.39 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.428 1.419 . . . . 0.0 109.934 169.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -69.02 -47.3 65.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.19 177.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.5 HD21 HG21 ' A' ' 77' ' ' ILE . 7.1 tt -60.86 -49.07 78.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.735 -179.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -62.65 -30.77 71.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.097 0.475 . . . . 0.0 110.349 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.77 -45.04 83.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.309 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.546 ' HB2' HG11 ' A' ' 74' ' ' VAL . 27.1 m95 -65.26 -30.6 71.49 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.212 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 55' ' ' LEU . 62.3 t -64.79 -34.04 67.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.012 0.434 . . . . 0.0 110.217 176.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 68.5 mtm -88.95 -22.34 23.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.285 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.14 53.72 0.69 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 121.039 -0.6 . . . . 0.0 112.75 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -145.13 92.8 2.3 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -98.09 -125.38 5.22 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.78 -0.645 . . . . 0.0 113.28 -177.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 69.18 25.54 5.7 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.428 0.691 . . . . 0.0 111.721 -176.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 97.7 m -75.24 163.59 27.35 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.14 176.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -59.08 -50.24 74.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.446 -175.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -117.08 116.63 27.7 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.352 -169.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.1 mt -75.8 -22.48 56.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.734 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.81 -42.53 99.67 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.795 -0.717 . . . . 0.0 111.501 175.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.645 ' HB3' HD21 ' A' ' 47' ' ' LEU . 96.6 mt -68.82 -35.68 77.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.943 0.401 . . . . 0.0 110.052 174.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.64 -29.73 70.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.03 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.498 ' O ' ' HG3' ' A' ' 76' ' ' LYS . . . -65.08 -29.56 70.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.225 176.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 24.4 mmt -73.02 -36.54 67.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.606 176.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.546 HG11 ' HB2' ' A' ' 58' ' ' TRP . 46.5 t -67.54 -36.66 76.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.854 175.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -54.82 -39.87 68.97 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.622 175.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.498 ' HG3' ' O ' ' A' ' 72' ' ' ALA . 65.4 mttm -69.43 -36.82 77.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.75 177.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.5 HG21 HD21 ' A' ' 55' ' ' LEU . 47.0 mm -59.38 -48.28 87.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 174.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 74' ' ' VAL . 59.0 t -64.04 -35.78 74.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.722 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.18 -42.8 99.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.321 . . . . 0.0 111.241 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -66.07 -42.93 88.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.239 0.543 . . . . 0.0 109.634 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.421 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 4.5 t30 -65.95 -36.32 83.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.047 177.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.442 ' O ' HD23 ' A' ' 82' ' ' LEU . 5.0 tt -54.76 -35.68 64.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.48 -177.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.433 ' HA ' ' HG2' ' A' ' 86' ' ' ARG . 14.4 m -64.17 -49.29 72.66 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.463 -178.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.548 ' HE2' HG22 ' A' ' 24' ' ' VAL . 21.1 pttp -69.95 -22.8 63.14 Favored 'General case' 0 N--CA 1.461 0.104 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.626 -178.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 93.2 t -79.98 -42.16 21.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.761 176.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.433 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 32.9 ptt180 -74.35 -21.79 59.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.895 -177.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.443 ' O ' HD23 ' A' ' 87' ' ' LEU . 6.3 tt -64.7 -33.57 76.26 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 172.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -74.92 151.37 38.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.303 178.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -94.68 12.97 25.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.112 0.482 . . . . 0.0 110.72 176.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.534 ' O ' ' HB2' ' A' ' 91' ' ' HIS . 69.7 m80 -78.4 112.45 15.44 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 165.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.534 ' HB2' ' O ' ' A' ' 90' ' ' HIS . 41.3 m80 72.93 -162.59 0.1 Allowed 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -166.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -118.62 163.24 17.1 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 12.2 p-80 -76.4 135.73 39.47 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 177.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 . . . . . 0 C--O 1.246 0.896 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.1 -176.876 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 120.961 0.41 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -84.27 145.46 28.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.033 -178.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.2 p -118.53 158.72 24.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.12 0.486 . . . . 0.0 111.865 -174.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.503 ' O ' ' HB2' ' A' ' 7' ' ' LYS . . . -65.62 -29.38 69.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.566 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.84 -39.94 90.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.311 0.577 . . . . 0.0 110.082 177.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -66.26 -29.6 69.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.347 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.503 ' HB2' ' O ' ' A' ' 4' ' ' ALA . 25.2 mtpp -56.69 -39.69 74.26 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.914 0.387 . . . . 0.0 110.444 174.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.08 -36.55 84.69 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.492 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -62.98 -34.02 76.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.362 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.4 mt -71.52 -43.99 71.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.985 175.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -57.35 -38.52 74.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.365 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -70.79 -22.82 62.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.496 178.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.72 22.88 14.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.691 -174.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.8 p -67.83 -25.89 65.79 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.716 0.294 . . . . 0.0 110.677 178.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.2 mtt180 75.71 134.77 0.05 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.265 -0.879 . . . . 0.0 112.598 175.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -71.17 -23.1 61.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.008 175.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.0 -20.71 74.93 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.162 177.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.573 ' HB3' ' HB3' ' A' ' 21' ' ' LEU . 1.5 mpt? -101.12 72.41 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.154 0.502 . . . . 0.0 109.826 177.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.92 -56.31 12.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.645 -172.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.0 mp0 -71.53 -31.38 66.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.052 0.454 . . . . 0.0 110.779 -179.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.573 ' HB3' ' HB3' ' A' ' 18' ' ' MET . 5.3 tp -68.29 -38.02 81.24 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.275 -176.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -51.59 -38.21 53.5 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.648 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.9 t -71.17 -37.27 65.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.651 -176.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.554 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 35.7 m -91.77 -27.62 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -172.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 21' ' ' LEU . 65.9 mt -59.08 -42.38 86.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -175.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.706 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 42.5 tpp -57.09 -53.66 62.93 Favored Pre-proline 0 CA--C 1.542 0.669 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -172.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.706 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 2.8 Cg_exo -78.45 -32.63 2.15 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 122.124 1.883 . . . . 0.0 112.666 177.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -67.72 -36.65 81.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.854 -0.157 . . . . 0.0 110.8 -178.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.603 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 87.5 t80 -56.76 -44.68 82.01 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.783 0.325 . . . . 0.0 110.23 177.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -57.67 -45.21 85.87 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.159 178.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -72.87 -35.61 67.2 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.837 -177.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.603 ' SG ' ' HA ' ' A' ' 29' ' ' PHE . 28.2 p -75.98 -34.01 59.76 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.282 178.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -62.32 -36.35 81.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.166 0.507 . . . . 0.0 110.476 177.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -63.22 -28.1 69.81 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.276 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.3 t -97.65 -44.8 6.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.217 -176.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 51.4 mt -75.49 144.44 42.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.626 0.25 . . . . 0.0 110.91 -176.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -94.39 -178.49 4.6 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 173.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -54.57 -43.51 72.14 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -176.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.5 m -57.88 -51.57 69.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.955 0.407 . . . . 0.0 111.408 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.2 mp0 -70.28 -41.52 73.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.187 -178.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.432 ' O ' HG23 ' A' ' 45' ' ' VAL . 2.8 tt0 -62.37 -40.97 98.18 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.156 -178.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -62.89 -40.88 98.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.36 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -59.61 -43.18 93.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.111 177.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.489 ' HD1' ' SD ' ' A' ' 73' ' ' MET . 64.1 t80 -64.84 -49.3 71.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.376 177.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 41' ' ' GLN . 90.9 t -64.49 -39.35 85.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.183 -178.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.49 -36.97 79.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.932 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.444 HD22 HD22 ' A' ' 70' ' ' LEU . 33.1 tp -67.82 -35.93 79.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.104 177.442 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 44' ' ' PHE . 86.7 mt -59.23 -31.23 68.86 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -176.051 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -78.74 -14.06 59.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.011 0.434 . . . . 0.0 111.185 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.0 t -96.25 -177.9 4.13 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 177.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -112.78 113.52 25.65 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 177.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.816 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -118.46 87.2 30.28 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 121.54 0.686 . . . . 0.0 111.727 -176.115 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -68.04 -27.26 36.3 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.633 2.222 . . . . 0.0 110.5 173.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.516 ' O ' ' HD1' ' A' ' 58' ' ' TRP . 4.6 m-20 -65.11 -38.11 89.62 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.343 174.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.816 ' HB2' ' HB3' ' A' ' 52' ' ' ASP . 1.1 tt -58.04 -50.18 74.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.14 176.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -63.98 -34.64 78.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.222 176.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.556 ' HB1' ' O ' ' A' ' 62' ' ' HIS . . . -63.39 -39.94 95.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.511 179.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.516 ' HD1' ' O ' ' A' ' 54' ' ' ASP . 17.1 m95 -64.74 -37.28 87.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 110.806 177.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.2 t -65.9 -39.57 85.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.428 176.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 86.6 mmm -75.65 -21.26 57.84 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.762 0.315 . . . . 0.0 111.34 176.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.75 27.13 22.8 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 121.105 -0.569 . . . . 0.0 112.656 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.556 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 94.7 m-70 -145.99 77.31 1.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.883 0.342 . . . . 0.0 111.064 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -179.52 163.92 31.61 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 119.897 -1.144 . . . . 0.0 112.841 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 73.6 mtt-85 -127.17 138.42 53.14 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 35.7 t -89.34 146.96 24.35 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -177.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -69.11 -37.75 78.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.071 0.462 . . . . 0.0 110.286 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -138.06 118.13 13.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.904 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 31.1 mt -65.36 -14.9 61.89 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -173.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.43 -44.18 98.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.584 -0.817 . . . . 0.0 111.271 173.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.444 HD22 HD22 ' A' ' 47' ' ' LEU . 37.9 mt -65.06 -42.19 94.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.291 0.567 . . . . 0.0 109.736 173.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.84 -23.87 67.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.487 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.58 -45.9 90.5 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.917 0.339 . . . . 0.0 111.917 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.489 ' SD ' ' HD1' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -75.4 -28.99 59.66 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.951 177.49 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.434 ' O ' HG23 ' A' ' 78' ' ' VAL . 78.8 t -65.1 -36.32 77.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 175.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -54.24 -41.88 69.24 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.576 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 80' ' ' HIS . 27.4 mmmt -66.55 -37.75 85.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.099 -179.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 63.7 mt -70.63 -40.43 77.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.495 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 74' ' ' VAL . 78.6 t -59.49 -47.93 89.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.17 -39.39 92.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.168 0.509 . . . . 0.0 110.629 178.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' A' ' 76' ' ' LYS . 0.4 OUTLIER -60.73 -48.43 81.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.632 179.673 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.45 ' O ' HG23 ' A' ' 85' ' ' VAL . 9.3 t30 -67.07 -40.52 87.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.684 178.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.4 tt -56.29 -43.22 78.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.017 0.437 . . . . 0.0 109.989 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.507 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 8.0 t -66.92 -44.81 79.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.48 -177.033 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -69.31 -22.55 63.78 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.05 -178.403 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 81' ' ' ASN . 73.8 t -79.66 -39.8 20.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.883 176.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' A' ' 83' ' ' SER . 40.3 ptt180 -73.7 -24.9 60.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.929 0.395 . . . . 0.0 111.003 -178.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 83' ' ' SER . 78.3 mt -70.45 -44.22 68.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.676 175.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 56.58 85.44 0.08 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.439 -177.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -87.4 -31.51 20.04 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 170.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -136.94 -80.42 0.38 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.204 171.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 55.37 80.96 0.12 Allowed 'General case' 0 CA--C 1.531 0.23 0 O-C-N 123.821 0.701 . . . . 0.0 111.669 175.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -125.39 89.65 3.08 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.345 176.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 25.9 p80 52.87 -53.06 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 125.461 1.504 . . . . 0.0 113.281 -171.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 . . . . . 0 C--O 1.247 0.944 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 173.347 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.3 ttm . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 120.571 0.224 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -123.62 103.73 8.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.058 0.456 . . . . 0.0 110.966 177.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.5 p -104.75 -163.75 0.99 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.969 176.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.22 -35.83 78.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.621 0.248 . . . . 0.0 111.634 -177.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -60.3 -42.58 95.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.594 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -69.5 -36.35 76.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.396 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -60.35 -35.31 75.37 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.688 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . . . -64.65 -36.87 85.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.973 178.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -63.63 -36.3 83.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.133 0.492 . . . . 0.0 110.265 176.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.1 mt -70.61 -49.78 49.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.959 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.688 ' HG2' ' HA ' ' A' ' 8' ' ' ALA . 18.5 ptpt -60.84 -34.71 74.98 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.939 0.4 . . . . 0.0 111.419 -178.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -71.03 -22.49 62.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.566 177.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.77 -41.28 8.14 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -173.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.407 ' SG ' ' HA ' ' A' ' 11' ' ' LYS . 19.9 p -64.74 -26.3 68.3 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -173.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.505 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 93.5 mtt180 -90.35 -176.44 4.8 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.471 -176.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.505 ' HB2' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 75.49 138.98 0.06 Allowed 'General case' 0 N--CA 1.47 0.535 0 O-C-N 124.008 0.817 . . . . 0.0 111.091 -172.455 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.04 -65.13 3.94 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.382 -0.826 . . . . 0.0 112.176 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.5 ptt? -132.08 111.3 11.36 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.27 0.557 . . . . 0.0 110.627 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 84.0 mt -81.46 -27.29 34.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.521 -177.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -56.52 -44.88 81.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.623 -176.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.461 ' O ' HG13 ' A' ' 25' ' ' ILE . 4.4 mm? -64.0 -44.97 91.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.499 -176.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -56.29 -33.88 65.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.927 0.394 . . . . 0.0 111.443 -177.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.7 t -59.55 -37.96 72.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.843 -177.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.6 m -100.45 -25.03 3.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -176.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 21' ' ' LEU . 74.2 mt -67.67 -52.28 42.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 111.705 0.261 . . . . 0.0 111.705 -176.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.611 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 53.7 ttp -57.66 -53.49 65.09 Favored Pre-proline 0 CA--C 1.54 0.588 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -172.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.611 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 24.3 Cg_exo -63.89 -36.79 48.13 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.964 1.776 . . . . 0.0 112.371 -178.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -69.53 -40.89 76.63 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 177.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -58.9 -44.35 91.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.647 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -54.39 -45.12 72.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.081 0.467 . . . . 0.0 111.461 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -75.01 -45.5 41.41 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.761 178.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 35.1 t -65.09 -34.1 77.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.937 0.399 . . . . 0.0 111.079 -176.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -53.35 -35.54 60.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.831 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -58.27 -30.61 66.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.1 0.476 . . . . 0.0 110.802 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.2 t -98.26 -26.52 14.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.805 -178.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.1 mt -72.39 139.02 47.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.199 0.523 . . . . 0.0 110.873 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.4 p -91.28 169.54 10.73 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.016 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -50.71 -46.19 58.79 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.319 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.4 p -61.18 -49.49 76.99 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.616 -177.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -62.93 -47.0 85.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.585 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.444 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -59.96 -41.37 91.77 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.02 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -61.22 -45.07 96.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -62.04 -42.91 99.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.802 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.463 ' CZ ' HD11 ' A' ' 48' ' ' LEU . 35.2 t80 -62.54 -48.32 80.01 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.154 179.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 41' ' ' GLN . 87.7 t -60.75 -48.84 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.348 -178.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.26 -33.21 71.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.395 -177.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 1.023 HD22 HD13 ' A' ' 70' ' ' LEU . 17.3 tp -68.0 -40.95 82.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.888 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.463 HD11 ' CZ ' ' A' ' 44' ' ' PHE . 97.5 mt -69.81 -16.74 63.33 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -174.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -58.51 -35.07 71.68 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -168.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 39.4 m -152.69 113.45 4.13 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 122.082 -0.386 . . . . 0.0 111.75 172.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.0 t70 55.25 119.37 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 O-C-N 124.765 1.291 . . . . 0.0 113.435 175.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.727 ' CG ' ' HB2' ' A' ' 55' ' ' LEU . 4.1 t0 -114.04 85.85 10.65 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.043 178.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -77.5 -27.3 6.42 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.558 2.172 . . . . 0.0 111.674 177.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -65.23 -47.77 75.63 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 176.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.727 ' HB2' ' CG ' ' A' ' 52' ' ' ASP . 0.4 OUTLIER -58.97 -50.96 72.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.526 -1.216 . . . . 0.0 110.19 176.524 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -58.94 -47.34 85.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.067 -178.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.37 -34.25 77.55 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -175.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -81.58 -31.46 32.56 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.519 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.47 ' HA ' HG22 ' A' ' 78' ' ' VAL . 74.1 t -68.69 -39.7 80.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.042 0.449 . . . . 0.0 110.316 173.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.445 ' SD ' ' HB3' ' A' ' 92' ' ' HIS . 25.8 mmt -79.96 -14.35 58.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.135 179.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.52 45.68 10.76 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.076 -0.583 . . . . 0.0 113.253 176.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -123.89 -15.9 6.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.949 0.374 . . . . 0.0 111.473 176.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.56 115.04 0.05 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 114.867 0.707 . . . . 0.0 114.867 172.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -145.92 14.71 1.35 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.663 0.268 . . . . 0.0 110.928 173.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 19.9 t -101.68 123.33 45.49 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.463 -173.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -84.44 -34.35 23.49 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.557 -175.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -105.01 118.79 37.41 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.241 0.543 . . . . 0.0 110.959 -178.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.575 ' HA ' ' HB3' ' A' ' 71' ' ' ALA . 32.0 mt -72.49 -12.77 61.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.176 -177.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.77 -47.96 87.66 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.588 -0.815 . . . . 0.0 111.566 174.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.023 HD13 HD22 ' A' ' 47' ' ' LEU . 35.1 mt -72.22 -44.87 62.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.409 . . . . 0.0 110.731 174.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.575 ' HB3' ' HA ' ' A' ' 68' ' ' LEU . . . -57.11 -28.52 62.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.756 -178.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.22 -46.39 89.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.135 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.519 ' HG3' ' O ' ' A' ' 70' ' ' LEU . 3.4 ppp? -74.01 -28.79 61.62 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.144 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.448 ' O ' HG23 ' A' ' 78' ' ' VAL . 74.4 t -69.01 -41.2 81.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.933 0.397 . . . . 0.0 110.171 176.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -60.8 -34.38 74.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.546 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -59.04 -40.34 84.75 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.036 0.446 . . . . 0.0 110.31 175.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.5 mt -69.89 -43.33 79.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.156 177.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.47 HG22 ' HA ' ' A' ' 59' ' ' VAL . 67.6 t -61.5 -38.75 80.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.812 179.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.93 -36.7 82.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.96 177.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -71.58 -36.3 70.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.328 177.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.467 ' O ' HG23 ' A' ' 85' ' ' VAL . 64.0 t30 -70.08 -34.93 73.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.804 178.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 tt -53.95 -43.94 70.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.873 -176.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.649 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 11.9 p -67.97 -31.02 70.46 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.72 0.295 . . . . 0.0 110.879 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.52 ' HA ' HD12 ' A' ' 87' ' ' LEU . 27.4 mtpp -69.04 -33.82 74.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.051 0.453 . . . . 0.0 110.23 177.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 81' ' ' ASN . 60.9 t -67.49 -39.66 82.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.385 178.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 83' ' ' SER . 12.9 ptm180 -78.04 -23.3 48.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.703 -178.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.649 ' HG ' ' O ' ' A' ' 83' ' ' SER . 74.5 mt -61.5 -58.96 6.06 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.885 0.374 . . . . 0.0 110.244 174.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -118.76 -98.53 0.45 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.363 178.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -179.33 97.36 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.861 0.362 . . . . 0.0 110.427 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -151.97 103.41 2.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.828 177.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -98.51 -41.72 7.63 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 172.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.445 ' HB3' ' SD ' ' A' ' 60' ' ' MET . 5.9 p-80 -177.91 123.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.552 -1.204 . . . . 0.0 109.065 167.07 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -166.68 143.68 4.86 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.581 -172.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.629 -0.701 . . . . 0.0 110.426 177.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.8 ttp . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 120.705 0.288 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.417 ' HD1' ' HG2' ' A' ' 6' ' ' GLN . 54.9 m-85 -119.14 136.87 53.96 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 172.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 68.0 p -98.85 -174.04 2.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.814 -0.176 . . . . 0.0 110.579 -174.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.54 -32.84 67.49 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.724 0.297 . . . . 0.0 111.432 -177.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -60.46 -50.15 74.72 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 177.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.417 ' HG2' ' HD1' ' A' ' 2' ' ' TYR . 26.7 mp0 -70.19 -37.82 75.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.048 178.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -56.17 -40.27 73.64 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.829 0.347 . . . . 0.0 110.979 178.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.421 ' O ' ' HD1' ' A' ' 12' ' ' TRP . . . -61.44 -47.06 87.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.994 178.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -62.35 -36.96 83.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.074 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 6' ' ' GLN . 81.5 mt -64.62 -44.74 96.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.022 0.439 . . . . 0.0 110.065 177.232 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.638 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 87.5 tttt -63.03 -37.16 86.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.714 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.421 ' HD1' ' O ' ' A' ' 8' ' ' ALA . 11.6 m95 -62.76 -25.18 68.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.542 178.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.83 -29.94 23.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.073 178.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 58.2 m -73.31 -46.06 51.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.982 0.42 . . . . 0.0 110.882 -179.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.638 ' HG3' ' O ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -97.72 -174.25 2.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.881 177.564 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.403 ' HB3' ' O ' ' A' ' 15' ' ' ARG . 61.7 ttp180 74.07 -39.44 0.43 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.075 0.55 . . . . 0.0 110.79 -177.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -86.49 -111.47 0.85 Allowed Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 121.297 -0.478 . . . . 0.0 112.204 177.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.591 ' HG2' HD23 ' A' ' 21' ' ' LEU . 54.6 tpp -92.65 96.73 10.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.056 0.455 . . . . 0.0 111.146 -176.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 72.2 mt -73.94 -21.3 60.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.788 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -60.37 -31.03 69.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.522 176.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.591 HD23 ' HG2' ' A' ' 18' ' ' MET . 4.3 mm? -93.25 -23.59 18.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.825 178.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -54.05 -36.09 62.71 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.186 0.517 . . . . 0.0 110.667 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.8 t -57.95 -35.06 50.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.002 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.1 p -104.32 -33.93 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.759 0.314 . . . . 0.0 111.469 -176.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 63.2 mt -70.63 -46.13 71.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -175.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.568 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 78.9 mmm -59.67 -53.7 63.09 Favored Pre-proline 0 N--CA 1.466 0.354 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -174.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.548 ' HD3' ' HB2' ' A' ' 26' ' ' MET . 50.7 Cg_exo -58.08 -38.71 90.54 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 121.72 1.613 . . . . 0.0 112.279 179.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.514 ' HZ ' ' HB3' ' A' ' 76' ' ' LYS . 55.6 t80 -69.32 -41.98 75.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.569 177.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -58.77 -42.07 88.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.663 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.568 ' HG3' ' O ' ' A' ' 26' ' ' MET . 38.7 mt-10 -54.94 -45.18 74.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.528 0.68 . . . . 0.0 111.12 178.304 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -77.56 -40.76 41.35 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.695 -177.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 38.4 t -83.19 -21.8 33.37 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -173.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -53.49 -50.62 64.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.897 0.379 . . . . 0.0 111.254 -179.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -69.47 -24.37 63.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.074 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.9 t -80.21 -21.3 43.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.304 -173.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.455 ' HB3' ' HB2' ' A' ' 40' ' ' GLU . 80.1 mt -96.53 155.4 16.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.745 0.307 . . . . 0.0 111.055 -178.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 48.3 p -83.31 171.49 13.5 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 172.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.421 ' HA ' HE21 ' A' ' 41' ' ' GLN . 46.4 mm-40 -57.89 -41.9 83.52 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -174.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.27 -45.27 85.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.239 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.455 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . 40.1 mt-10 -64.85 -40.54 95.33 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.31 0.576 . . . . 0.0 110.14 178.127 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.49 ' O ' HG23 ' A' ' 45' ' ' VAL . 6.4 tt0 -56.47 -48.59 76.78 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.767 176.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -69.1 -34.54 75.24 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.856 -177.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -63.5 -43.31 97.62 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.229 178.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -65.47 -42.56 92.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.456 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 41' ' ' GLN . 94.1 t -61.29 -37.94 78.73 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.864 177.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.05 -39.35 78.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 177.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.56 HD12 HD22 ' A' ' 70' ' ' LEU . 6.1 tt -64.37 -39.44 93.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.431 178.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.5 mt -63.14 -22.69 67.03 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -174.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -80.22 -13.85 58.9 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.114 178.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.1 t -96.95 -172.07 2.37 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.974 -178.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.609 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 7.4 m-20 -87.6 175.19 8.03 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 177.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.576 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 9.5 p-10 -121.18 51.61 2.57 Favored Pre-proline 0 CA--C 1.543 0.693 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -179.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.609 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 1.6 Cg_endo -83.82 -54.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.061 1.841 . . . . 0.0 110.713 176.112 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.45 ' O ' ' HD1' ' A' ' 58' ' ' TRP . 2.4 m-20 -59.65 -41.58 90.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.981 175.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.53 ' O ' HG23 ' A' ' 59' ' ' VAL . 9.3 tt -58.98 -50.15 75.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.068 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -60.33 -38.26 83.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.185 0.516 . . . . 0.0 110.43 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.6 -40.87 84.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.668 -178.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.479 ' HB2' HG11 ' A' ' 74' ' ' VAL . 21.0 m95 -67.46 -33.32 74.89 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.677 0.275 . . . . 0.0 111.027 179.21 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 55' ' ' LEU . 86.4 t -61.93 -36.5 74.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.051 0.453 . . . . 0.0 110.353 176.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 22.1 mmt -87.13 -18.18 31.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.014 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.11 22.87 31.3 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.623 176.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -114.43 -3.65 13.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.226 0.536 . . . . 0.0 110.206 -178.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -88.24 163.04 32.65 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.653 -0.784 . . . . 0.0 113.635 -170.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -148.75 136.17 20.34 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 176.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 29.8 t -130.09 169.86 14.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.778 0.323 . . . . 0.0 110.994 -172.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -86.14 -42.46 13.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.806 -177.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -117.96 131.58 56.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.401 0.619 . . . . 0.0 110.674 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.5 mt -76.19 -17.54 59.48 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.981 -176.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -59.38 -48.2 87.14 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.635 -0.793 . . . . 0.0 111.973 178.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.56 HD22 HD12 ' A' ' 47' ' ' LEU . 58.2 mt -71.57 -30.95 66.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.993 0.425 . . . . 0.0 110.748 176.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.35 -36.79 83.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.483 ' O ' ' HG3' ' A' ' 76' ' ' LYS . . . -66.79 -27.77 67.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.755 178.127 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 23.6 mmt -64.91 -45.92 83.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.152 0.501 . . . . 0.0 109.833 175.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.521 ' O ' HG23 ' A' ' 78' ' ' VAL . 31.4 t -65.89 -36.73 78.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.387 178.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -54.4 -45.09 72.84 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.913 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.514 ' HB3' ' HZ ' ' A' ' 28' ' ' PHE . 57.4 mttm -67.79 -34.92 77.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.717 -179.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 71.2 mt -63.66 -43.52 98.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.177 175.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 74' ' ' VAL . 72.0 t -62.04 -42.88 96.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.537 178.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.55 -42.23 87.37 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.278 177.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -71.77 -37.03 70.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.16 0.505 . . . . 0.0 110.262 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -60.23 -33.5 72.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.948 178.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.6 tp -53.66 -30.86 45.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.012 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.546 ' HA ' ' HG2' ' A' ' 86' ' ' ARG . 22.6 t -64.49 -41.03 96.7 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.598 176.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -67.77 -33.74 75.44 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 175.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.444 HG13 ' ND1' ' A' ' 92' ' ' HIS . 99.4 t -68.04 -39.98 82.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.044 179.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.546 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 31.4 ptt85 -77.82 -21.21 51.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.106 0.479 . . . . 0.0 110.885 -178.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 64.8 tp -88.08 -55.03 3.92 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.141 -178.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -77.73 110.12 12.31 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.115 0.483 . . . . 0.0 111.341 -175.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 67.15 14.66 9.85 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.055 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 39.5 m80 73.73 -48.2 0.66 Allowed 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 172.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -162.48 169.33 20.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.898 0.38 . . . . 0.0 111.382 -176.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.444 ' ND1' HG13 ' A' ' 85' ' ' VAL . 37.9 m80 -128.93 115.21 17.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.007 176.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -81.3 137.05 35.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.706 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 44.1 m170 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.445 -0.788 . . . . 0.0 110.143 175.446 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.1 mtt . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 110.619 -0.141 . . . . 0.0 110.619 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -62.5 105.41 0.63 Allowed 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 121.348 0.594 . . . . 0.0 109.575 170.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.4 p -90.29 -174.64 4.24 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.895 -1.048 . . . . 0.0 112.376 -171.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.51 ' HA ' ' HG2' ' A' ' 7' ' ' LYS . . . -59.36 -30.72 68.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.851 175.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -64.35 -49.41 71.78 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 121.351 0.596 . . . . 0.0 109.633 175.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.5 ' O ' HG13 ' A' ' 10' ' ' ILE . 77.6 mm-40 -66.08 -42.92 88.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.062 -175.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.51 ' HG2' ' HA ' ' A' ' 4' ' ' ALA . 20.9 ptmt -61.57 -33.42 73.84 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.582 -179.347 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.88 -41.25 71.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.937 0.399 . . . . 0.0 110.201 177.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -62.69 -32.7 73.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.277 176.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 6' ' ' GLN . 78.3 mt -65.45 -43.21 94.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.596 174.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.606 ' HD3' ' O ' ' A' ' 11' ' ' LYS . 2.3 tmtp? -56.95 -35.26 68.89 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.553 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -58.1 -32.98 68.61 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.972 176.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.69 40.54 1.47 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.983 0.42 . . . . 0.0 110.575 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 3.7 p -61.48 -24.81 66.83 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.892 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.784 HH21 ' HA ' ' A' ' 49' ' ' GLU . 36.0 mmt180 75.22 163.36 0.26 Allowed 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.353 0.661 . . . . 0.0 111.545 178.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -122.31 109.95 15.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.946 -177.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -134.81 -60.07 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.374 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.44 ' HG3' ' H ' ' A' ' 20' ' ' GLU . 12.3 tpt -162.44 142.21 9.55 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -178.048 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.6 mt -61.39 -36.36 80.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 111.087 -178.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.476 ' O ' HG23 ' A' ' 24' ' ' VAL . 27.7 mm-40 -64.81 -42.64 94.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.69 175.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.547 ' O ' HG12 ' A' ' 25' ' ' ILE . 4.4 tt -69.13 -36.88 77.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.283 -174.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -57.47 -43.73 84.27 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.506 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.13 -22.45 30.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.205 -178.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 20' ' ' GLU . 5.0 t -93.31 1.65 9.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.265 0.555 . . . . 0.0 110.293 -179.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.547 HG12 ' O ' ' A' ' 21' ' ' LEU . 46.2 mm -104.09 -65.43 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.602 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.717 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 34.7 tpp -68.56 -53.53 16.49 Favored Pre-proline 0 CA--C 1.535 0.385 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -170.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.717 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 31.0 Cg_exo -63.39 -29.25 71.91 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 121.699 1.6 . . . . 0.0 111.796 176.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.533 ' HZ ' ' HB3' ' A' ' 76' ' ' LYS . 70.7 t80 -69.85 -36.38 75.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.388 176.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -56.9 -41.07 77.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.219 177.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -55.53 -45.2 77.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.967 178.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -71.05 -51.28 26.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.961 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.0 t -70.02 -31.66 69.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.799 -170.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -53.93 -36.78 63.15 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 122.396 0.278 . . . . 0.0 111.667 -177.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -68.61 -20.23 64.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.022 0.439 . . . . 0.0 111.034 -178.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.1 m -107.2 -6.48 17.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.365 -178.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.429 ' HB3' ' HG3' ' A' ' 41' ' ' GLN . 66.5 mt -89.43 143.13 27.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.105 0.478 . . . . 0.0 111.47 -178.077 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.6 p -108.63 164.98 11.88 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.498 172.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -54.62 -38.1 66.42 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.97 0.414 . . . . 0.0 110.982 -179.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 m -57.6 -49.72 75.49 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.09 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -71.88 -39.14 69.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 178.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.483 ' O ' HG23 ' A' ' 45' ' ' VAL . 49.9 mt-30 -61.6 -39.76 92.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.678 -177.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -64.07 -45.56 88.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.937 0.399 . . . . 0.0 110.9 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -65.03 -35.78 82.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.674 178.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -68.23 -44.19 76.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.278 178.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 41' ' ' GLN . 73.7 t -62.99 -41.5 93.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.777 0.322 . . . . 0.0 110.517 178.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.61 -33.43 72.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.145 0.497 . . . . 0.0 110.744 176.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.547 ' HB2' HD22 ' A' ' 70' ' ' LEU . 54.7 tp -67.47 -38.15 83.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.09 177.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.0 mt -71.38 -18.22 62.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 112.074 -175.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.784 ' HA ' HH21 ' A' ' 15' ' ' ARG . 38.3 mt-10 -85.8 -12.59 50.54 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.652 0.242 . . . . 0.0 111.652 177.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.2 m -71.82 178.56 3.59 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.225 0.536 . . . . 0.0 111.504 -178.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -83.69 12.0 6.53 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.712 0.768 . . . . 0.0 110.001 177.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.569 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 10.5 m-20 50.82 52.43 12.28 Favored Pre-proline 0 CA--C 1.532 0.256 0 CA-C-N 114.601 -1.181 . . . . 0.0 112.35 -176.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.569 ' HD3' ' N ' ' A' ' 52' ' ' ASP . 5.2 Cg_endo -87.4 -56.67 0.02 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 121.873 1.716 . . . . 0.0 111.578 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.5 ' HB2' ' HB3' ' A' ' 65' ' ' CYS . 23.4 p-10 -70.5 -32.87 70.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.069 176.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.507 ' O ' HG23 ' A' ' 59' ' ' VAL . 6.9 tt -60.85 -50.57 72.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.682 175.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -63.8 -38.14 89.98 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.999 0.428 . . . . 0.0 110.494 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.594 ' HB1' ' HA3' ' A' ' 63' ' ' GLY . . . -57.35 -47.29 82.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.946 -178.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.506 ' HB2' HG11 ' A' ' 74' ' ' VAL . 31.1 m95 -74.71 -28.58 60.86 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.725 -176.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 55' ' ' LEU . 91.8 t -59.29 -42.77 88.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 120.907 0.384 . . . . 0.0 110.338 175.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 87.6 mtp -87.22 -20.05 27.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.583 178.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.16 33.36 17.84 Favored Glycine 0 C--N 1.331 0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.647 177.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -156.58 97.55 1.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 122.399 0.28 . . . . 0.0 110.529 -175.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.594 ' HA3' ' HB1' ' A' ' 57' ' ' ALA . . . 160.05 -31.53 0.4 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.359 -0.924 . . . . 0.0 113.43 174.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 62.76 -175.64 0.15 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.07 0.462 . . . . 0.0 111.452 -177.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.5 ' HB3' ' HB2' ' A' ' 54' ' ' ASP . 25.1 p -149.34 -178.25 6.3 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.369 -178.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -94.52 -35.74 12.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.251 0.548 . . . . 0.0 110.168 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -118.79 120.56 37.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.063 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.0 mt -70.52 -17.92 62.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.812 179.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.58 -47.15 91.48 Favored Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 174.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.547 HD22 ' HB2' ' A' ' 47' ' ' LEU . 99.0 mt -58.03 -43.85 86.99 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.199 0.523 . . . . 0.0 109.951 174.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.476 ' HB2' ' SG ' ' A' ' 65' ' ' CYS . . . -65.6 -26.01 67.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.433 -179.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.49 ' O ' ' HG3' ' A' ' 76' ' ' LYS . . . -62.94 -43.0 99.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.594 179.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 5.1 mpp? -69.08 -39.29 79.15 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.673 176.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.521 ' O ' HG23 ' A' ' 78' ' ' VAL . 46.0 t -62.5 -40.68 89.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.85 0.357 . . . . 0.0 110.598 178.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -60.64 -38.51 85.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.596 177.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.533 ' HB3' ' HZ ' ' A' ' 28' ' ' PHE . 97.6 mttt -61.99 -40.45 95.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.73 176.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 78.3 mt -63.36 -46.6 95.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.271 176.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 74' ' ' VAL . 84.1 t -56.79 -34.61 43.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.124 178.651 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.69 -46.5 88.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.813 0.34 . . . . 0.0 111.052 178.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -67.73 -36.1 79.96 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.607 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 58.0 t30 -63.64 -48.01 78.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.383 177.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.0 tt -57.57 -37.12 72.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.284 0.564 . . . . 0.0 109.633 177.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.503 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 21.9 t -63.58 -43.48 96.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.169 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.607 ' HG2' ' O ' ' A' ' 81' ' ' ASN . 11.7 ptmm? -69.38 -26.08 64.48 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.491 -0.483 . . . . 0.0 109.996 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 81' ' ' ASN . 95.2 t -74.93 -46.36 40.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.688 177.233 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.503 ' HG3' ' O ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -66.21 -23.3 66.41 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.136 0.493 . . . . 0.0 111.041 -179.495 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.425 ' N ' ' HD3' ' A' ' 86' ' ' ARG . 60.2 tp -70.45 -38.68 74.54 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.004 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.444 ' HB3' ' HD2' ' A' ' 89' ' ' HIS . 30.6 mt-10 -92.46 -86.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -176.075 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.522 ' O ' ' HB2' ' A' ' 90' ' ' HIS . 1.6 p80 -153.4 107.18 3.02 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -169.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.523 ' O ' ' HD2' ' A' ' 92' ' ' HIS . 35.2 t-80 168.56 119.62 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 173.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -57.86 131.07 49.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.225 0.536 . . . . 0.0 110.869 -175.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.523 ' HD2' ' O ' ' A' ' 90' ' ' HIS . 17.0 p80 -143.85 148.5 35.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.813 -172.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -163.19 142.26 8.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.082 176.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.4 m170 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.128 -0.939 . . . . 0.0 109.735 172.799 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.2 tpp . . . . . 0 N--CA 1.478 0.957 0 CA-C-O 120.804 0.335 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.625 ' HE1' ' HE3' ' A' ' 7' ' ' LYS . 3.9 p90 -85.3 164.69 17.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.434 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.3 p -102.63 -171.84 2.03 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.894 -175.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 7' ' ' LYS . . . -57.35 -34.39 68.76 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.742 -176.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.4 -36.75 83.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.722 0.296 . . . . 0.0 111.419 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -70.45 -35.63 73.45 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 176.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.625 ' HE3' ' HE1' ' A' ' 2' ' ' TYR . 32.5 mmtp -59.48 -32.67 70.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.807 176.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.04 -36.41 72.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.837 -178.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -62.45 -42.43 99.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.258 0.552 . . . . 0.0 109.935 177.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 64.6 mt -65.66 -43.29 93.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.963 176.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -54.56 -36.48 64.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.834 -1.076 . . . . 0.0 111.772 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -66.42 -25.4 66.74 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -179.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.37 -49.92 3.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.966 0.412 . . . . 0.0 111.477 -177.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 84.6 m -63.31 -23.87 67.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.271 -177.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -51.1 -33.66 27.14 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.738 0.304 . . . . 0.0 111.106 177.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 16' ' ' ARG . 20.6 ttm-85 -101.17 -48.24 4.47 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 173.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.428 ' O ' ' HB3' ' A' ' 18' ' ' MET . . . 87.68 -29.62 5.31 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.627 -0.715 . . . . 0.0 113.338 174.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.428 ' HB3' ' O ' ' A' ' 17' ' ' GLY . 14.0 ttt 66.02 100.97 0.04 OUTLIER 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -173.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.7 mt -54.84 -30.69 58.17 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -167.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -68.19 -20.32 64.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.824 0.345 . . . . 0.0 111.315 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 21' ' ' LEU . 26.5 mt -120.8 -30.27 4.48 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.062 -175.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -53.07 -44.16 67.27 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.355 0.662 . . . . 0.0 112.224 -176.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.7 m -66.63 -13.53 16.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.112 -176.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.8 t -106.67 -46.34 8.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.938 0.399 . . . . 0.0 110.78 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 62.1 mt -67.02 -46.7 84.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.169 -175.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.425 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 43.9 ttm -57.58 -54.39 55.56 Favored Pre-proline 0 CA--C 1.536 0.425 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -173.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.425 ' HD2' ' N ' ' A' ' 26' ' ' MET . 28.4 Cg_endo -63.87 -37.05 46.85 Favored 'Trans proline' 0 C--N 1.357 0.977 0 C-N-CA 121.781 1.654 . . . . 0.0 112.138 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -60.7 -47.61 85.48 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.236 178.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.404 ' O ' ' HB2' ' A' ' 33' ' ' PHE . 81.6 t80 -58.67 -48.83 79.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.786 -178.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -59.21 -45.34 91.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.117 0.484 . . . . 0.0 111.548 -177.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -72.92 -51.61 17.83 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.362 -0.835 . . . . 0.0 112.01 -177.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.47 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 6.9 t -83.2 -19.87 35.71 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -167.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.404 ' HB2' ' O ' ' A' ' 29' ' ' PHE . 86.1 t80 -50.88 -38.42 49.47 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.852 0.358 . . . . 0.0 111.749 -177.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -65.83 -21.99 66.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.254 0.549 . . . . 0.0 111.461 -179.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.0 m -113.65 1.51 14.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.441 -176.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 70.7 mt -89.63 135.17 33.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.854 0.359 . . . . 0.0 110.86 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.9 161.16 25.72 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -64.02 -34.83 78.9 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -174.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.1 m -56.63 -47.58 79.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.979 0.419 . . . . 0.0 110.314 172.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -61.81 -38.65 88.92 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.359 0.6 . . . . 0.0 110.207 177.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.411 ' O ' HG23 ' A' ' 45' ' ' VAL . 78.5 mt-30 -65.41 -39.07 91.71 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.993 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -66.09 -45.48 81.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.778 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -59.95 -36.47 77.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.517 176.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -62.51 -43.53 98.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.705 177.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 41' ' ' GLN . 92.2 t -66.23 -48.19 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.406 178.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.76 -37.97 77.42 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.014 178.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 30.1 tp -54.94 -50.4 68.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.567 176.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.1 mt -67.05 -27.77 67.66 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.026 -172.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -79.65 -14.21 58.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.618 0.247 . . . . 0.0 111.259 179.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.9 m -101.76 150.75 22.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.218 0.532 . . . . 0.0 111.955 -172.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -93.76 103.22 15.36 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 172.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 1.067 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . 53.1 m-20 -125.2 85.7 57.85 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -170.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -75.61 -35.6 2.65 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.872 2.382 . . . . 0.0 111.454 174.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.435 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 10.2 p-10 -69.7 -32.11 70.5 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.199 0.523 . . . . 0.0 109.753 178.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.067 ' HB2' ' HB3' ' A' ' 52' ' ' ASP . 0.7 OUTLIER -70.09 -35.96 74.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.259 175.89 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -57.83 -30.59 65.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.339 0.59 . . . . 0.0 110.153 174.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 54' ' ' ASP . . . -67.02 -21.92 65.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.165 176.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.492 ' HE1' ' HA ' ' A' ' 64' ' ' ARG . 14.3 m95 -78.0 -30.96 50.35 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.423 174.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.5 t -58.61 -34.84 52.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.377 175.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 23.3 ptm -96.8 -9.57 28.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.723 177.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.36 35.91 36.02 Favored Glycine 0 CA--C 1.52 0.349 0 CA-C-N 116.002 -0.545 . . . . 0.0 114.045 173.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -135.79 18.91 3.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 117.168 0.484 . . . . 0.0 111.728 -178.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -128.71 -178.97 15.63 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 119.913 -1.136 . . . . 0.0 113.079 -176.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.492 ' HA ' ' HE1' ' A' ' 58' ' ' TRP . 12.9 mmt180 -138.53 148.52 44.35 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 122.449 0.3 . . . . 0.0 110.256 176.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 96.9 m -135.0 159.43 41.54 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.329 -177.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -77.45 -36.47 52.97 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -174.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.403 ' ND2' ' HG ' ' A' ' 70' ' ' LEU . 20.5 p-10 -111.7 113.67 26.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.502 0.668 . . . . 0.0 110.48 178.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.2 mt -71.93 -12.3 61.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.818 -176.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.63 -47.47 88.22 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.39 173.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.604 ' HB3' HD11 ' A' ' 55' ' ' LEU . 30.1 mt -66.1 -39.79 90.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.114 0.483 . . . . 0.0 110.499 176.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.59 -39.54 91.56 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.395 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.37 -44.18 97.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.113 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.522 ' O ' HG13 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -61.06 -47.08 88.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.598 177.873 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.735 HG21 HD22 ' A' ' 55' ' ' LEU . 97.3 t -64.83 -40.54 89.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.331 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -55.54 -42.46 74.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.281 0.562 . . . . 0.0 110.771 178.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -68.26 -34.46 76.25 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.737 178.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 73' ' ' MET . 68.7 mt -65.03 -43.78 96.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.976 0.417 . . . . 0.0 110.072 175.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 74' ' ' VAL . 88.3 t -59.91 -41.61 86.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.649 178.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.34 -36.95 74.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.083 177.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -72.59 -37.17 68.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.155 0.502 . . . . 0.0 110.597 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -67.11 -35.51 79.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.6 179.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.4 tt -54.21 -38.79 66.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.011 178.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.57 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 19.4 m -62.9 -42.25 99.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 177.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -63.04 -33.59 75.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.788 0.328 . . . . 0.0 110.975 178.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 58.5 t -75.16 -33.49 28.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.255 0.55 . . . . 0.0 110.639 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.506 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 27.0 ptt180 -83.46 -7.14 59.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.139 0.495 . . . . 0.0 110.292 179.13 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 83' ' ' SER . 56.0 mt -84.43 -77.6 0.26 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.286 174.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -109.47 108.1 18.48 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.705 0.261 . . . . 0.0 111.705 -174.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.408 ' HB3' ' CE1' ' A' ' 91' ' ' HIS . 41.1 m80 66.02 111.18 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.564 0.697 . . . . 0.0 111.62 177.066 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -89.44 98.54 11.82 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.54 -174.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.408 ' CE1' ' HB3' ' A' ' 89' ' ' HIS . 43.2 m80 -111.19 105.13 13.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.273 177.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -127.6 2.31 6.17 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 75.2 m80 60.72 80.9 0.2 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.154 -175.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 . . . . . 0 C--O 1.244 0.783 0 CA-C-O 118.618 -0.706 . . . . 0.0 109.726 -176.976 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ttt . . . . . 0 N--CA 1.478 0.957 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.433 ' HD2' ' HB3' ' A' ' 6' ' ' GLN . 55.9 m-85 -69.18 97.07 0.88 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.586 0.707 . . . . 0.0 110.046 171.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.6 p -104.68 -161.62 0.83 Allowed 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.561 -173.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.71 -39.81 65.54 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -175.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -61.04 -45.35 95.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.475 0.655 . . . . 0.0 110.078 178.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.461 ' HA ' ' HG2' ' A' ' 9' ' ' ARG . 13.4 mm100 -70.3 -32.16 69.81 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.973 -179.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.1 mttt -64.01 -33.71 76.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.712 0.291 . . . . 0.0 110.688 174.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.95 -36.85 84.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.869 0.366 . . . . 0.0 110.351 175.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.461 ' HG2' ' HA ' ' A' ' 6' ' ' GLN . 22.4 mmt180 -63.03 -39.11 93.78 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.454 0.645 . . . . 0.0 109.501 176.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 64.1 mt -64.57 -42.17 94.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.321 177.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -56.02 -36.98 68.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.027 178.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 19.0 m95 -64.26 -37.65 88.22 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.92 0.391 . . . . 0.0 111.187 176.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.97 -38.91 72.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.652 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 58.0 m -67.49 -42.19 83.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.054 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.419 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 28.3 ttt180 -85.04 31.01 0.56 Allowed 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.467 0.651 . . . . 0.0 110.39 178.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -61.57 -41.33 97.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.434 174.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 156.48 -27.73 0.55 Allowed Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.381 -176.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.4 tpt -78.44 68.15 4.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.486 0.66 . . . . 0.0 109.705 176.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.564 ' HA ' ' HB3' ' A' ' 22' ' ' ASP . 85.3 mt -64.77 -22.64 67.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.41 -176.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -56.75 -33.97 67.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.552 176.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.508 ' HA ' HG22 ' A' ' 24' ' ' VAL . 75.9 mt -96.04 -31.55 12.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.663 178.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.564 ' HB3' ' HA ' ' A' ' 19' ' ' LEU . 15.5 t70 -48.58 -44.73 37.12 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.186 0.517 . . . . 0.0 111.794 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.486 HG23 HG13 ' A' ' 24' ' ' VAL . 27.7 m -76.95 -11.17 13.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -176.171 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.508 HG22 ' HA ' ' A' ' 21' ' ' LEU . 33.1 m -116.14 -18.82 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -177.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 21' ' ' LEU . 69.2 mt -70.29 -39.92 77.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 O-C-N 122.13 -0.356 . . . . 0.0 111.209 -179.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.498 ' HA ' ' CE ' ' A' ' 26' ' ' MET . 19.1 mmt -54.91 -53.83 56.63 Favored Pre-proline 0 CA--C 1.538 0.512 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -174.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' A' ' 26' ' ' MET . 18.7 Cg_endo -60.25 -43.99 31.43 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 121.798 1.665 . . . . 0.0 112.582 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.428 ' HD1' ' O ' ' A' ' 24' ' ' VAL . 55.9 m-85 -66.49 -39.44 88.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.826 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.514 ' HZ ' HE21 ' A' ' 41' ' ' GLN . 91.3 t80 -58.29 -48.45 80.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.509 177.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.81 -45.52 92.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.854 -177.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.487 ' HG3' ' N ' ' A' ' 32' ' ' CYS . 2.5 pt-20 -73.56 -45.34 53.95 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.958 -179.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.487 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 83.3 m -72.12 -32.34 66.86 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 122.431 -0.168 . . . . 0.0 111.246 -175.409 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -56.3 -33.38 65.49 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.025 0.44 . . . . 0.0 110.877 178.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -57.7 -26.06 61.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.973 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.2 p -109.68 -20.08 12.95 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.653 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.6 mt -96.45 118.72 33.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.832 0.349 . . . . 0.0 110.113 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.77 174.89 11.12 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.988 -174.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.26 -36.63 84.31 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -174.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.5 m -57.39 -38.89 75.0 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.258 0.551 . . . . 0.0 110.391 174.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -71.37 -45.72 62.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.887 177.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.514 HE21 ' HZ ' ' A' ' 29' ' ' PHE . 52.9 tt0 -57.18 -42.19 80.69 Favored 'General case' 0 N--CA 1.433 -1.286 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.637 178.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -57.86 -41.01 81.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.263 -177.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -69.28 -41.06 77.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.261 0.553 . . . . 0.0 109.863 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -63.89 -46.15 86.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.252 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 41' ' ' GLN . 85.0 t -61.79 -42.01 92.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.378 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.89 -34.41 67.87 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.331 177.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.436 HD22 HD13 ' A' ' 70' ' ' LEU . 56.4 tp -67.98 -44.53 76.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.037 177.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.0 mt -64.32 -22.07 66.83 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 112.08 -175.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -71.69 -18.64 62.16 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.162 0.506 . . . . 0.0 110.816 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.8 m -109.13 -162.76 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.556 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.424 ' HB3' ' HD3' ' A' ' 53' ' ' PRO . 1.0 OUTLIER -71.23 164.88 24.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.02 0.438 . . . . 0.0 110.527 174.178 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -121.14 52.88 3.16 Favored Pre-proline 0 C--N 1.32 -0.707 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -175.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.424 ' HD3' ' HB3' ' A' ' 51' ' ' ASP . 71.1 Cg_endo -78.64 -34.89 1.23 Allowed 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 121.424 1.416 . . . . 0.0 111.332 178.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.01 -46.35 89.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.591 177.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.426 ' O ' HG23 ' A' ' 59' ' ' VAL . 2.9 tt -66.19 -49.8 66.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.575 -179.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -58.21 -48.06 81.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.783 -178.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.22 -34.36 70.73 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -174.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 24.9 m95 -83.56 -27.52 29.23 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.366 -0.534 . . . . 0.0 112.186 -175.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.517 ' HA ' HG22 ' A' ' 78' ' ' VAL . 52.9 t -62.02 -41.93 92.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 121.037 0.446 . . . . 0.0 110.631 173.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 67.8 mtm -83.15 -20.42 34.77 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.226 176.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.31 51.08 4.05 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 121.022 -0.609 . . . . 0.0 113.09 174.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -162.96 91.72 0.74 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.658 -0.319 . . . . 0.0 110.395 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 160.01 176.48 32.14 Favored Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.019 178.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -107.6 167.61 9.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.94 0.4 . . . . 0.0 110.736 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 44.9 t -155.54 144.2 20.43 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 176.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -84.0 -37.72 21.84 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.086 0.47 . . . . 0.0 110.625 -177.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.416 ' HB2' HD12 ' A' ' 70' ' ' LEU . 93.0 m-20 -102.17 105.39 16.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.548 -178.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.7 mt -74.93 -19.53 60.09 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.919 -178.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.01 -42.63 99.74 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.558 174.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.606 ' O ' ' HG3' ' A' ' 73' ' ' MET . 85.9 mt -62.73 -47.93 81.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.079 0.466 . . . . 0.0 110.275 173.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.76 -31.35 68.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.09 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.477 ' O ' ' HG3' ' A' ' 76' ' ' LYS . . . -62.2 -45.33 93.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.21 179.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.606 ' HG3' ' O ' ' A' ' 70' ' ' LEU . 4.2 ppp? -74.03 -28.89 61.65 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.56 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.521 ' O ' HG23 ' A' ' 78' ' ' VAL . 86.9 t -67.21 -40.76 85.77 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 176.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -55.06 -38.28 67.84 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.968 177.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 72' ' ' ALA . 54.6 mttm -66.4 -34.2 77.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.573 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 71.6 mt -71.25 -42.53 74.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.911 174.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 74' ' ' VAL . 93.9 t -58.65 -34.42 51.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.918 179.055 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.9 -42.88 76.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.992 178.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.426 ' HB2' ' HE2' ' A' ' 28' ' ' PHE . 69.6 m-70 -66.38 -42.76 87.48 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 120.884 0.373 . . . . 0.0 110.52 177.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.485 ' O ' HG23 ' A' ' 85' ' ' VAL . 27.3 t-20 -63.59 -43.63 96.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.437 -179.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.2 tt -63.11 -39.84 95.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.857 178.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.0 t -63.68 -38.12 89.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.206 177.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -58.62 -40.99 84.91 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.881 0.372 . . . . 0.0 110.353 174.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 81' ' ' ASN . 58.4 t -66.07 -42.48 91.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.835 -178.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -75.81 -24.97 55.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.023 0.439 . . . . 0.0 110.536 -179.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 64.0 tp -76.33 -45.45 32.17 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.44 178.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -70.62 -21.76 62.6 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.883 176.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.0 t60 63.26 41.8 7.54 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.387 165.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -95.59 58.09 1.97 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.856 0.36 . . . . 0.0 111.569 -174.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 65.94 4.83 3.16 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 168.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -85.43 97.05 9.79 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 119.985 -0.686 . . . . 0.0 110.73 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -101.65 -47.4 4.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.579 175.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.7 t60 . . . . . 0 C--O 1.249 1.071 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.83 -176.158 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.5 mtp . . . . . 0 N--CA 1.484 1.226 0 CA-C-O 120.933 0.397 . . . . 0.0 111.752 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.23 123.41 40.71 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 173.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.3 p -126.29 -170.36 2.18 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -171.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.21 -37.35 72.08 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -174.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -60.56 -44.13 96.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.231 0.538 . . . . 0.0 110.532 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.617 ' HA ' ' HD3' ' A' ' 9' ' ' ARG . 23.5 mp0 -66.59 -33.38 75.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.726 177.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.554 ' HA ' HD12 ' A' ' 10' ' ' ILE . 93.7 mttt -65.21 -34.84 79.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.666 0.269 . . . . 0.0 110.922 177.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.483 ' O ' ' HD1' ' A' ' 12' ' ' TRP . . . -62.24 -38.13 88.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.612 178.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.617 ' HD3' ' HA ' ' A' ' 6' ' ' GLN . 40.7 mtp180 -62.14 -37.83 86.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.94 177.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.66 HD13 ' HZ ' ' A' ' 29' ' ' PHE . 56.6 mt -66.03 -43.27 92.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.382 177.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -55.47 -35.37 65.44 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.698 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.555 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 15.8 m95 -58.95 -40.4 84.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.474 0.178 . . . . 0.0 111.354 177.401 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.19 -21.86 62.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.086 0.469 . . . . 0.0 111.155 -178.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 45.1 m -73.23 -22.14 60.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.808 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.555 ' HB2' ' O ' ' A' ' 12' ' ' TRP . 1.4 mpt_? -53.8 172.35 0.08 Allowed 'General case' 0 C--O 1.233 0.223 0 N-CA-C 113.515 0.932 . . . . 0.0 113.515 -174.233 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -64.74 118.83 9.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.787 -1.097 . . . . 0.0 111.534 -171.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -165.35 -48.82 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.751 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.426 178.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.685 ' HG2' ' HG ' ' A' ' 21' ' ' LEU . 23.4 tpp -144.78 95.45 2.7 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.4 mt -66.97 -26.25 66.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.116 0.484 . . . . 0.0 110.884 -177.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -62.86 -31.09 72.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.023 178.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.685 ' HG ' ' HG2' ' A' ' 18' ' ' MET . 86.7 mt -92.18 -19.19 22.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.893 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -55.86 -45.81 78.39 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.313 -178.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.2 m -81.11 -10.58 12.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.077 -176.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 52.6 t -98.82 -46.59 12.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 120.763 0.316 . . . . 0.0 110.92 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 75.7 mt -84.03 -52.01 13.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.872 -174.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.668 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 53.1 ttp -57.82 -53.64 63.67 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -172.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.668 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 32.3 Cg_exo -60.34 -36.85 85.78 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 121.864 1.709 . . . . 0.0 111.994 179.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -65.66 -42.92 90.77 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.911 0.386 . . . . 0.0 110.188 177.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.66 ' HZ ' HD13 ' A' ' 10' ' ' ILE . 87.9 t80 -57.12 -48.9 77.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.262 178.209 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 26' ' ' MET . 9.1 mt-10 -61.86 -35.25 77.76 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.016 0.436 . . . . 0.0 111.131 -179.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -68.12 -52.39 35.4 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.723 176.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.409 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 12.5 t -82.51 -26.98 32.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.127 -169.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -53.34 -35.58 60.37 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 122.776 0.43 . . . . 0.0 111.203 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -61.62 -34.64 76.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.731 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.2 t -88.24 -40.87 13.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.055 -177.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 71.3 mt -64.68 136.19 56.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.545 -175.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.513 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 36.3 p -81.71 164.82 21.49 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 170.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -50.9 -41.4 58.45 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -175.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.0 m -60.52 -45.25 94.52 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.616 0.246 . . . . 0.0 111.576 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -66.22 -40.15 90.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.59 0.709 . . . . 0.0 109.739 177.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.538 ' O ' HG23 ' A' ' 45' ' ' VAL . 96.3 mt-30 -61.7 -44.22 97.34 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.711 178.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -64.16 -44.54 91.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.607 -174.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.3 -39.81 88.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.024 0.44 . . . . 0.0 110.657 176.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.468 ' CE1' HD11 ' A' ' 77' ' ' ILE . 45.5 t80 -68.02 -40.84 82.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.495 178.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 41' ' ' GLN . 85.9 t -64.08 -39.25 84.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-O 120.715 0.293 . . . . 0.0 110.601 177.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.24 -36.0 72.55 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.508 176.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.739 HD21 HD13 ' A' ' 70' ' ' LEU . 78.6 mt -67.19 -39.23 86.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.972 175.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.5 mt -71.0 -37.66 72.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.174 -175.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -83.27 -14.1 53.82 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.845 0.355 . . . . 0.0 111.195 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.4 t -84.17 -169.79 2.77 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 176.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.599 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 7.5 t70 -84.94 166.93 16.38 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 175.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.516 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 11.7 p-10 -119.8 53.12 2.42 Favored Pre-proline 0 CA--C 1.541 0.601 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -174.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.599 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 6.2 Cg_endo -86.64 -55.32 0.02 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 121.605 1.537 . . . . 0.0 111.321 176.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -69.96 -32.74 71.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.371 176.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.412 ' O ' HG23 ' A' ' 59' ' ' VAL . 5.4 tt -66.13 -49.9 65.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.707 178.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.421 ' HB2' ' O ' ' A' ' 52' ' ' ASP . 41.6 t80 -61.13 -33.01 72.7 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.124 0.488 . . . . 0.0 110.427 178.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.887 ' HB1' ' HA3' ' A' ' 63' ' ' GLY . . . -62.37 -37.41 85.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.746 -177.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.451 ' HB2' HG11 ' A' ' 74' ' ' VAL . 29.6 m95 -78.52 -31.63 47.68 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.047 178.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.544 ' HA ' HG22 ' A' ' 78' ' ' VAL . 81.5 t -62.84 -40.1 87.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.934 0.397 . . . . 0.0 110.692 177.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 24.3 mmt -90.96 -11.2 39.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.247 178.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.08 34.47 70.36 Favored Glycine 0 C--O 1.227 -0.285 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.687 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -126.34 24.57 6.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.155 0.503 . . . . 0.0 110.109 -173.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.887 ' HA3' ' HB1' ' A' ' 57' ' ' ALA . . . -165.28 179.41 39.78 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.396 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 44.2 mtm180 -140.19 172.2 13.08 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 122.35 0.26 . . . . 0.0 110.395 -178.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.657 ' SG ' ' HB2' ' A' ' 71' ' ' ALA . 25.7 p -142.04 171.49 13.98 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 173.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -85.64 -34.32 21.38 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -173.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.481 HD21 HD12 ' A' ' 70' ' ' LEU . 14.8 p-10 -111.33 118.14 35.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.502 0.668 . . . . 0.0 111.309 -177.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.545 ' HA ' ' HB3' ' A' ' 71' ' ' ALA . 54.2 mt -75.0 -14.57 60.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.063 -175.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.79 -47.13 91.47 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.439 -0.886 . . . . 0.0 111.293 175.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.739 HD13 HD21 ' A' ' 47' ' ' LEU . 15.7 mt -71.25 -35.87 71.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.879 0.371 . . . . 0.0 110.415 174.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.657 ' HB2' ' SG ' ' A' ' 65' ' ' CYS . . . -60.64 -38.94 86.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.368 179.097 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.465 ' O ' ' HG3' ' A' ' 76' ' ' LYS . . . -58.8 -37.01 75.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 90.7 mmm -64.83 -44.55 89.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.381 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.491 ' O ' HG23 ' A' ' 78' ' ' VAL . 21.7 t -68.94 -37.1 76.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.611 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -58.92 -40.29 84.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.647 177.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 72' ' ' ALA . 44.5 mtpt -64.92 -34.24 77.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.536 177.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.468 HD11 ' CE1' ' A' ' 44' ' ' PHE . 60.6 mt -61.58 -45.72 98.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 173.514 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.544 HG22 ' HA ' ' A' ' 59' ' ' VAL . 45.2 t -60.81 -41.1 87.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.851 179.334 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.13 -36.67 80.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.019 0.438 . . . . 0.0 110.749 178.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 -63.72 -42.18 97.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.05 176.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.709 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 52.8 t30 -69.93 -47.08 63.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.777 178.31 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 73.3 mt -57.03 -31.19 64.89 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.339 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.624 ' HA ' ' HG2' ' A' ' 86' ' ' ARG . 67.8 m -67.26 -42.98 83.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.489 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.709 ' HG2' ' O ' ' A' ' 81' ' ' ASN . 11.9 ptmm? -70.99 -26.76 63.28 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.373 -0.531 . . . . 0.0 109.838 177.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 81' ' ' ASN . 70.9 t -72.17 -43.2 66.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.926 177.04 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.624 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 25.5 ptt85 -76.19 -17.23 59.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.265 0.555 . . . . 0.0 110.492 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.498 HD22 ' HG3' ' A' ' 88' ' ' GLU . 1.7 tt -72.32 -58.82 3.1 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.493 179.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.498 ' HG3' HD22 ' A' ' 87' ' ' LEU . 47.4 mt-10 -129.75 -78.42 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.779 0.323 . . . . 0.0 111.516 -178.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -73.96 96.7 2.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.914 -173.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -80.11 87.46 5.47 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.917 178.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 -125.65 136.01 52.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.601 -178.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 66.56 95.92 0.06 Allowed 'General case' 0 C--N 1.33 -0.242 0 O-C-N 124.108 0.88 . . . . 0.0 111.114 -177.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -97.91 -48.26 5.24 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 174.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 8.7 p80 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 119.004 -0.522 . . . . 0.0 109.746 175.584 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.3 mmt . . . . . 0 N--CA 1.487 1.393 0 N-CA-C 111.66 0.245 . . . . 0.0 111.66 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -132.77 107.09 8.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.187 0.517 . . . . 0.0 110.719 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.1 p -94.27 -168.51 1.87 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.963 177.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.76 -39.23 76.93 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.915 -178.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -60.6 -42.18 96.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.366 0.603 . . . . 0.0 111.066 -178.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.65 -47.61 77.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.253 -176.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -67.89 -30.47 69.83 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.165 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.47 ' O ' ' HB3' ' A' ' 11' ' ' LYS . . . -62.17 -42.78 99.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.069 177.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.6 mtm-85 -66.6 -32.91 74.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.968 0.413 . . . . 0.0 110.892 176.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.5 mt -65.55 -42.62 93.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.001 173.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 8' ' ' ALA . 23.6 tptm -54.43 -36.27 63.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.358 176.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -66.41 -22.64 66.23 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.764 0.316 . . . . 0.0 111.473 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.45 28.29 4.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.952 0.406 . . . . 0.0 110.749 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 p -59.94 -24.8 64.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.382 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.19 122.87 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.536 0.684 . . . . 0.0 111.943 175.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.545 ' H ' ' HD2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -93.89 128.66 40.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.153 175.029 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 176.09 -51.4 0.12 Allowed Glycine 0 N--CA 1.443 -0.842 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 92.8 mmm -130.85 117.76 19.79 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 176.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.44 ' O ' HG23 ' A' ' 23' ' ' VAL . 86.9 mt -59.8 -32.25 70.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.881 0.372 . . . . 0.0 110.975 -177.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -70.44 -34.93 73.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.217 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.6 mt -72.0 -32.04 66.82 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.022 0.439 . . . . 0.0 110.284 178.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -60.78 -32.4 71.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.557 175.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 19' ' ' LEU . 47.1 t -75.52 -27.3 18.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.861 178.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.545 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 98.9 t -67.35 -48.71 76.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.762 -176.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 58.4 mt -58.26 -37.56 63.63 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -173.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.708 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 50.7 ttp -58.36 -54.54 54.88 Favored Pre-proline 0 CA--C 1.543 0.689 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -170.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.708 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 3.0 Cg_endo -87.8 -31.47 0.21 Allowed 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.137 1.891 . . . . 0.0 113.12 178.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.413 ' CD2' HG23 ' A' ' 77' ' ' ILE . 16.8 m-85 -67.06 -35.57 80.12 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 121.29 -0.164 . . . . 0.0 111.404 -175.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.498 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 67.6 t80 -59.15 -48.36 81.88 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.855 0.359 . . . . 0.0 110.345 176.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -54.93 -39.79 69.21 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.555 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -71.04 -51.9 22.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.202 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.547 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 24.2 p -73.9 -29.47 62.07 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -173.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -52.25 -36.01 51.39 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.02 0.438 . . . . 0.0 110.988 178.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -61.07 -26.62 67.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.065 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.3 p -119.84 10.9 11.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.958 0.408 . . . . 0.0 111.551 -178.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 48.7 mt -95.18 -174.04 3.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.139 0.495 . . . . 0.0 110.959 176.209 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.9 m -146.46 166.97 24.82 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 177.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -58.74 -42.09 87.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.754 0.311 . . . . 0.0 110.553 -177.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.3 p -56.33 -49.9 73.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.002 175.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -65.6 -35.44 80.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.388 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.433 ' O ' HG23 ' A' ' 45' ' ' VAL . 38.4 mt-30 -66.29 -28.22 68.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.083 179.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -67.66 -45.91 73.9 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 174.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -64.94 -35.84 82.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.649 176.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.536 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 74.4 t80 -61.42 -50.07 74.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.69 178.124 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 41' ' ' GLN . 85.7 t -66.36 -37.94 80.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.947 0.404 . . . . 0.0 110.4 179.127 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.66 -45.06 95.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 177.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 31.2 tp -66.61 -36.42 82.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.234 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 44' ' ' PHE . 79.1 mt -62.63 -33.15 74.44 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.907 0.384 . . . . 0.0 111.567 -179.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -85.49 -13.33 49.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.794 0.331 . . . . 0.0 111.138 178.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.6 m -89.92 172.1 9.11 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.631 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.585 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 37.5 t0 -72.48 156.96 38.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.172 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.523 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 7.5 p-10 -119.92 52.14 2.15 Favored Pre-proline 0 CA--C 1.542 0.671 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -171.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.585 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 2.2 Cg_endo -82.97 -55.68 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 121.783 1.655 . . . . 0.0 111.56 177.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.412 ' O ' ' HD1' ' A' ' 58' ' ' TRP . 11.9 p-10 -69.6 -32.47 71.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.566 176.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.48 ' O ' HG23 ' A' ' 59' ' ' VAL . 8.3 tt -58.3 -49.74 76.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.888 176.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -59.71 -35.23 74.1 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.813 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.564 ' HB1' ' HA3' ' A' ' 63' ' ' GLY . . . -74.85 -30.76 61.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.98 -176.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.412 ' HD1' ' O ' ' A' ' 54' ' ' ASP . 21.1 m95 -78.77 -28.46 44.77 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.438 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 55' ' ' LEU . 89.0 t -65.4 -32.35 57.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.97 0.414 . . . . 0.0 110.536 177.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 20.0 ptp -94.86 -15.0 24.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.482 175.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.8 51.7 8.99 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.142 -0.551 . . . . 0.0 112.043 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -142.54 20.58 2.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.221 0.534 . . . . 0.0 109.965 -177.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.564 ' HA3' ' HB1' ' A' ' 57' ' ' ALA . . . -134.04 -171.92 12.72 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.263 -0.97 . . . . 0.0 113.039 -174.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.36 149.39 39.33 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -178.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 12.8 t -138.03 156.76 47.48 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 177.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -72.27 -41.31 66.86 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -173.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -116.45 137.1 52.43 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.314 -0.555 . . . . 0.0 110.52 -179.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.9 mt -76.64 -13.83 60.02 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.672 178.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.91 -48.38 82.73 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.358 178.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.417 ' O ' HG23 ' A' ' 74' ' ' VAL . 44.8 mt -67.67 -36.32 80.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.134 0.492 . . . . 0.0 110.372 176.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.5 -26.79 64.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.712 -0.677 . . . . 0.0 112.034 -178.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.44 -44.55 92.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.612 -177.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -73.53 -28.91 62.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.791 0.329 . . . . 0.0 110.782 178.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 70' ' ' LEU . 60.4 t -66.34 -36.61 77.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.862 0.363 . . . . 0.0 110.057 177.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -55.1 -41.76 72.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.885 176.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -63.11 -38.87 92.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.299 0.571 . . . . 0.0 110.041 178.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.413 HG23 ' CD2' ' A' ' 28' ' ' PHE . 76.0 mt -64.86 -48.36 84.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.398 178.044 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 74' ' ' VAL . 65.4 t -61.04 -38.37 79.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.072 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.1 -45.2 91.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.915 0.388 . . . . 0.0 111.352 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -71.89 -36.32 70.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.035 0.445 . . . . 0.0 110.348 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.412 ' O ' HG23 ' A' ' 85' ' ' VAL . 51.5 t30 -64.36 -43.82 93.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.016 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.428 ' O ' HD23 ' A' ' 82' ' ' LEU . 5.0 tt -57.43 -34.88 69.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.986 0.422 . . . . 0.0 109.882 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.549 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 46.6 t -63.57 -51.58 64.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.21 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 15.4 ptmm? -68.16 -22.84 64.83 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.972 0.415 . . . . 0.0 110.816 -177.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 81' ' ' ASN . 98.3 t -79.73 -32.31 14.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.446 177.064 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.415 ' HG2' ' O ' ' A' ' 83' ' ' SER . 7.0 ptt180 -80.3 -27.07 38.56 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.811 0.338 . . . . 0.0 110.477 -179.044 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 83' ' ' SER . 87.9 mt -69.55 -42.93 73.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.519 178.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -90.28 -176.86 4.95 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.74 174.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -94.0 76.3 4.13 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.676 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.449 ' O ' ' HB2' ' A' ' 91' ' ' HIS . 1.6 t60 49.92 -89.02 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 114.508 -1.224 . . . . 0.0 113.392 170.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.449 ' HB2' ' O ' ' A' ' 90' ' ' HIS . 88.1 m-70 71.06 161.36 0.23 Allowed 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.584 0.754 . . . . 0.0 110.561 -170.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 67.6 m80 64.64 72.74 0.44 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.39 0.614 . . . . 0.0 109.584 -174.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -97.85 -14.41 20.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.192 -174.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.8 t60 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.717 -0.659 . . . . 0.0 109.836 179.089 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.4 ttm . . . . . 0 N--CA 1.476 0.849 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.633 ' HD1' ' HG2' ' A' ' 6' ' ' GLN . 88.5 m-85 -123.65 125.11 44.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.846 0.355 . . . . 0.0 111.06 -177.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.8 p -81.43 178.93 8.07 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.376 177.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.87 -45.64 82.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.792 0.329 . . . . 0.0 111.66 -176.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -67.42 -42.82 82.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.266 0.555 . . . . 0.0 110.572 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.633 ' HG2' ' HD1' ' A' ' 2' ' ' TYR . 25.3 tt0 -70.05 -39.0 75.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.508 -175.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -31.91 71.59 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.967 0.413 . . . . 0.0 110.158 177.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.625 ' O ' ' HG3' ' A' ' 11' ' ' LYS . . . -59.71 -35.75 75.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.899 177.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 -61.77 -30.83 71.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.226 0.536 . . . . 0.0 109.744 178.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 63.5 mt -73.18 -44.7 55.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.15 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.667 ' HA ' ' SG ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -66.5 -34.78 78.7 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.464 -178.582 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.404 ' HD1' ' O ' ' A' ' 8' ' ' ALA . 14.2 m95 -59.69 -39.07 83.32 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.857 0.36 . . . . 0.0 110.606 172.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.33 -40.93 42.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.597 -175.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.776 ' HB3' HD13 ' A' ' 48' ' ' LEU . 29.0 p -66.81 -28.38 68.32 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -175.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -92.81 80.13 4.69 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.43 0.633 . . . . 0.0 110.773 -178.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -139.05 165.85 26.04 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.484 174.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.66 -61.49 3.82 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.777 -0.725 . . . . 0.0 111.944 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.4 ptt? -156.32 139.36 15.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.057 0.456 . . . . 0.0 111.055 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.6 mt -69.61 -20.39 63.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.815 -178.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -58.85 -20.95 55.46 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.0 mt -84.75 -14.88 46.92 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.384 178.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -57.14 -41.43 79.11 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.017 0.437 . . . . 0.0 110.731 -179.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.1 t -64.51 -33.07 60.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.837 -176.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.5 m -103.16 8.49 9.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.939 0.399 . . . . 0.0 111.855 -174.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 39.7 mm -119.06 -53.61 3.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 121.026 -0.27 . . . . 0.0 111.386 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.465 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 24.7 ttt -55.04 -54.67 47.62 Favored Pre-proline 0 CA--C 1.54 0.561 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -170.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.465 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 60.8 Cg_endo -73.76 -34.84 5.01 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 121.423 1.415 . . . . 0.0 112.808 -176.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.437 ' CE1' ' HB3' ' A' ' 80' ' ' HIS . 22.2 m-30 -70.35 -36.47 74.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.477 -179.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -56.84 -41.05 77.21 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.586 176.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 26' ' ' MET . 23.0 mt-10 -56.82 -42.76 80.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.27 0.557 . . . . 0.0 110.455 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -74.65 -50.43 17.74 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.44 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.573 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 74.0 m -61.17 -47.51 85.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.394 -176.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.42 ' HD1' ' NE2' ' A' ' 41' ' ' GLN . 93.6 t80 -58.99 -35.19 72.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.046 0.451 . . . . 0.0 111.063 -178.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -65.28 -28.21 69.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.444 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.9 m -110.89 -26.09 9.5 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -172.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 62.2 mt -80.35 165.61 22.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.21 0.528 . . . . 0.0 111.284 -175.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 33.4 p -102.66 162.77 12.66 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.594 177.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -60.1 -36.2 76.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.675 0.274 . . . . 0.0 111.63 -176.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.1 m -56.93 -44.56 82.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 175.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -71.34 -34.56 70.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.067 177.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.427 ' O ' HG23 ' A' ' 45' ' ' VAL . 14.0 mm100 -65.19 -31.6 72.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.224 178.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -60.2 -45.68 92.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.089 0.471 . . . . 0.0 109.769 175.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.7 -41.84 87.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.687 175.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.554 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 72.7 t80 -62.61 -46.18 89.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.266 -178.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 41' ' ' GLN . 89.7 t -65.48 -38.34 82.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 178.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.87 -38.29 72.54 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.176 0.513 . . . . 0.0 110.561 175.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.9 -43.33 88.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.918 177.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.776 HD13 ' HB3' ' A' ' 14' ' ' CYS . 68.4 mt -66.98 -30.03 70.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.509 -176.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -80.85 -13.63 58.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.196 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.9 m -95.73 175.13 6.64 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.139 0.495 . . . . 0.0 111.668 -175.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.534 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 25.4 t70 -80.34 159.45 25.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.046 174.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.503 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 7.9 p-10 -117.54 52.12 1.24 Allowed Pre-proline 0 CA--C 1.546 0.794 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -169.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.534 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 2.2 Cg_endo -83.95 -55.0 0.03 OUTLIER 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 121.702 1.601 . . . . 0.0 110.834 174.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -62.3 -36.7 82.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.82 176.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.433 ' O ' HG23 ' A' ' 59' ' ' VAL . 6.4 tt -63.34 -50.33 70.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.908 -179.123 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -61.37 -35.15 76.66 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.089 0.471 . . . . 0.0 110.671 178.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.74 -32.48 74.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.512 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -79.37 -28.07 41.95 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.187 -0.205 . . . . 0.0 111.519 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 55' ' ' LEU . 72.8 t -60.94 -39.57 82.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.197 0.523 . . . . 0.0 109.761 173.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.6 mmt -83.15 -22.13 33.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.112 176.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.31 48.76 6.21 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.423 177.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -142.31 27.23 1.75 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.14 0.495 . . . . 0.0 110.574 -178.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -128.91 -179.27 15.83 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.69 -177.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -127.96 164.0 23.28 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 178.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 52.9 m -144.41 136.34 26.06 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.989 174.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -70.88 -34.6 71.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.619 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.5 ' ND2' ' HG ' ' A' ' 70' ' ' LEU . 16.1 p-10 -121.41 114.94 22.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.274 0.559 . . . . 0.0 109.803 175.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 76.7 mt -70.07 -14.84 62.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.391 -176.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.08 -35.81 71.35 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.186 176.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.5 ' HG ' ' ND2' ' A' ' 67' ' ' ASN . 42.2 mt -71.28 -39.67 71.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.328 0.585 . . . . 0.0 110.69 176.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.21 -23.98 63.96 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.558 -177.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.7 -42.39 79.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.574 -179.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -72.82 -36.42 67.52 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.888 178.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 49.7 t -62.97 -37.76 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.064 0.459 . . . . 0.0 109.976 178.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -54.62 -45.8 73.78 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.821 177.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -66.45 -34.77 78.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.952 -177.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 74.2 mt -65.65 -51.12 66.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.147 176.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.4 t -62.4 -42.58 96.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.076 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.55 -36.24 75.79 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.795 0.331 . . . . 0.0 111.153 179.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.437 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 14.3 m80 -71.97 -38.11 69.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.017 0.437 . . . . 0.0 111.489 177.383 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.485 ' O ' HG23 ' A' ' 85' ' ' VAL . 10.6 t30 -67.72 -36.46 80.64 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.076 0.465 . . . . 0.0 109.981 178.089 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.5 tp -58.36 -45.31 88.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.091 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.501 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 15.7 p -70.75 -38.94 73.55 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.901 -175.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.403 ' HG2' ' HA ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -67.58 -29.56 68.94 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.369 178.257 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 81' ' ' ASN . 59.1 t -72.56 -36.31 53.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.871 177.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 83' ' ' SER . 12.2 ptt180 -73.59 -19.66 60.81 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.017 0.437 . . . . 0.0 110.235 179.438 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 54.5 tp -84.94 -52.34 6.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.822 177.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -77.6 -23.86 49.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.913 0.387 . . . . 0.0 111.479 -176.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -135.55 -149.1 0.32 Allowed 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 178.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -127.5 110.74 13.05 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.306 -178.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -152.2 136.53 16.71 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -96.54 -177.77 4.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.608 0.242 . . . . 0.0 110.91 179.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -159.6 161.26 35.06 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.003 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 4.4 t60 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.702 -0.666 . . . . 0.0 109.506 -179.888 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.483 1.178 0 CA-C-O 120.639 0.257 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -128.11 132.81 48.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.241 0.543 . . . . 0.0 111.644 178.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 45.2 p -119.21 174.01 6.59 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.859 177.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.98 -35.1 79.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.191 0.519 . . . . 0.0 109.895 175.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -61.44 -44.05 97.8 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.053 175.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -62.1 -44.87 95.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.556 178.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.439 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 82.6 mttt -59.15 -37.87 78.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.859 176.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.2 -42.97 99.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.104 -177.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -61.68 -39.83 92.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.176 0.512 . . . . 0.0 110.216 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.9 mt -69.49 -42.44 80.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.584 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.628 ' HA ' ' SG ' ' A' ' 14' ' ' CYS . 99.5 mttt -58.49 -35.96 73.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.329 176.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.0 m95 -65.59 -31.94 73.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.833 0.349 . . . . 0.0 111.108 176.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.65 -6.39 59.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.593 -178.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.628 ' SG ' ' HA ' ' A' ' 11' ' ' LYS . 71.0 m -66.37 -38.27 87.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.873 0.368 . . . . 0.0 110.812 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -84.72 78.44 9.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.913 0.387 . . . . 0.0 110.677 176.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.1 tpt180 -76.58 -33.74 58.46 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.1 177.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 169.15 -46.69 0.22 Allowed Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.505 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.1 tpt -65.6 102.6 0.74 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.927 0.394 . . . . 0.0 110.191 177.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.7 mt -67.66 -29.86 69.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.416 -174.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -66.46 -20.45 66.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.844 0.354 . . . . 0.0 110.939 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.7 mt -89.33 -7.01 56.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.448 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -62.97 -40.89 99.09 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.289 0.566 . . . . 0.0 110.532 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.6 t -78.8 -10.55 12.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.404 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.508 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 57.4 t -97.84 -61.8 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.352 -177.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 66.8 mt -60.13 -40.53 83.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -172.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.774 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 25.3 ttt -61.03 -54.8 50.71 Favored Pre-proline 0 CA--C 1.54 0.569 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -174.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.774 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 12.4 Cg_exo -72.11 -37.1 5.01 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 121.817 1.678 . . . . 0.0 112.235 177.081 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -62.34 -34.27 76.33 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.144 178.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.423 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 32.5 t80 -55.75 -47.77 76.41 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 174.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -65.21 -34.84 79.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.056 0.455 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 27' ' ' PRO . 72.4 mt-10 -67.91 -49.21 63.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.474 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.551 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 24.0 p -73.57 -36.26 65.56 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.294 -0.162 . . . . 0.0 111.161 -178.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -52.28 -36.47 52.93 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.354 0.597 . . . . 0.0 110.516 175.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -68.72 -19.76 64.37 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.891 -178.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.2 m -117.44 -5.48 11.24 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -171.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 79.7 mt -110.47 -179.95 3.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.83 0.348 . . . . 0.0 111.083 -175.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.73 -179.0 5.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.24 174.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.498 ' HA ' HE21 ' A' ' 41' ' ' GLN . 5.5 mm-40 -51.63 -43.7 62.7 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 122.977 0.511 . . . . 0.0 112.026 -171.389 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.6 p -55.8 -51.04 68.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.589 -178.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -71.23 -43.52 67.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.29 0.567 . . . . 0.0 110.162 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.498 HE21 ' HA ' ' A' ' 38' ' ' GLU . 22.8 mt-30 -58.2 -40.57 81.92 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.848 -178.233 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -66.57 -43.21 85.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.112 0.482 . . . . 0.0 110.451 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -65.39 -35.5 81.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.967 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.455 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 80.4 t80 -64.96 -49.71 69.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.022 177.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 41' ' ' GLN . 89.8 t -61.35 -44.28 98.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.849 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.8 -39.44 81.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.511 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.702 HD22 HD22 ' A' ' 70' ' ' LEU . 42.1 tp -67.26 -36.83 82.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.907 -179.153 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 44' ' ' PHE . 93.0 mt -64.04 -22.3 66.87 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.59 -177.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -78.0 -13.1 60.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.725 0.298 . . . . 0.0 111.177 179.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.4 m -99.32 170.62 8.52 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.696 -179.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.537 ' C ' ' HD3' ' A' ' 53' ' ' PRO . 27.3 t70 -67.94 159.65 30.15 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 174.192 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.516 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 12.3 p-10 -118.88 52.46 1.72 Allowed Pre-proline 0 CA--C 1.544 0.721 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 -170.041 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.537 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 9.3 Cg_endo -86.2 -51.43 0.03 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 121.855 1.703 . . . . 0.0 110.98 174.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.433 ' OD1' ' HD2' ' A' ' 53' ' ' PRO . 18.4 p-10 -70.08 -32.84 71.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.023 176.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.461 ' O ' HG23 ' A' ' 59' ' ' VAL . 7.1 tt -60.23 -50.4 73.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.437 175.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -63.73 -33.3 75.33 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.335 178.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.595 ' HB1' ' HA3' ' A' ' 63' ' ' GLY . . . -59.96 -45.82 91.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.741 -178.14 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.413 ' HE1' ' C ' ' A' ' 64' ' ' ARG . 37.4 m95 -74.18 -28.76 61.44 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.386 -178.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 55' ' ' LEU . 95.6 t -66.64 -45.0 89.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-O 120.733 0.302 . . . . 0.0 110.523 175.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.5 ptm -78.29 -18.46 55.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.198 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.28 39.42 8.43 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.366 178.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -153.41 88.74 1.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.595 ' HA3' ' HB1' ' A' ' 57' ' ' ALA . . . 166.89 -174.44 42.23 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.148 -1.025 . . . . 0.0 113.275 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.413 ' C ' ' HE1' ' A' ' 58' ' ' TRP . 27.4 ptt180 -140.44 170.52 15.66 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 122.752 0.421 . . . . 0.0 110.184 -179.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 46.5 t -158.24 160.48 37.16 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -85.01 -33.96 22.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.743 -176.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -119.09 121.21 39.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.932 0.396 . . . . 0.0 110.408 -175.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 63.8 mt -75.34 -13.64 60.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.927 -177.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.96 -37.55 91.48 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.751 176.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.702 HD22 HD22 ' A' ' 47' ' ' LEU . 59.8 mt -68.07 -35.68 78.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.165 0.507 . . . . 0.0 110.682 175.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.45 -31.74 70.24 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.794 -178.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.8 -44.05 81.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.623 -177.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.445 ' HG2' ' O ' ' A' ' 70' ' ' LEU . 27.1 ptt? -73.77 -28.36 61.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.657 0.265 . . . . 0.0 110.858 -179.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 70' ' ' LEU . 89.5 t -62.97 -38.48 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.117 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.456 178.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -54.75 -41.74 70.79 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.9 177.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.4 mmtt -69.0 -39.44 79.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.46 -178.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 44.9 mm -62.93 -51.01 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.375 177.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 95.5 t -61.54 -42.7 95.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.047 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.77 -46.06 90.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.863 0.363 . . . . 0.0 111.226 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.44 -35.7 71.01 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.034 0.445 . . . . 0.0 110.439 -178.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.543 ' O ' HG23 ' A' ' 85' ' ' VAL . 64.3 t30 -69.63 -36.03 75.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.435 179.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 tt -54.08 -40.56 67.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.675 -172.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.1 p -66.92 -48.03 69.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.818 0.342 . . . . 0.0 111.552 -175.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 81' ' ' ASN . 16.6 ptpt -69.42 -24.19 63.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.791 -179.076 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 81' ' ' ASN . 85.7 t -74.69 -54.62 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.08 0.467 . . . . 0.0 110.776 176.272 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -70.39 -10.23 58.5 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.065 -175.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 38.9 tp -60.37 -42.48 95.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.325 175.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 56.05 91.09 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.825 -178.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 28.4 t-80 -133.61 137.19 45.32 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 176.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -65.02 108.54 1.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.3 0.572 . . . . 0.0 110.873 -178.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -143.19 -31.14 0.5 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.936 -177.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 63.6 t-80 -171.19 -60.84 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.133 178.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.449 ' CD2' ' H ' ' A' ' 94' ' ' HIS . 9.0 t60 54.35 -128.14 2.28 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -175.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.449 ' H ' ' CD2' ' A' ' 93' ' ' HIS . 29.7 m-70 . . . . . 0 C--O 1.245 0.827 0 CA-C-O 118.201 -0.904 . . . . 0.0 109.09 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 N--CA 1.477 0.902 0 CA-C-O 120.892 0.377 . . . . 0.0 110.094 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.524 ' CE2' ' HB3' ' A' ' 6' ' ' GLN . 0.5 OUTLIER -110.0 113.83 26.86 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.719 -177.161 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.454 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 67.8 p -72.22 169.08 16.9 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.865 -171.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.47 -31.22 72.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.727 178.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -64.21 -41.58 96.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.859 175.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.524 ' HB3' ' CE2' ' A' ' 2' ' ' TYR . 15.9 mm100 -70.07 -30.19 67.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.422 177.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 3' ' ' THR . 35.2 mmtm -56.79 -39.05 73.4 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.078 0.465 . . . . 0.0 110.397 176.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.46 -36.39 80.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.937 179.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -61.21 -35.36 76.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.659 -178.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.8 mt -71.16 -47.57 60.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.5 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.403 ' HD2' ' O ' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -64.85 -38.43 90.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.576 -177.284 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -71.79 -22.28 61.6 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -99.31 -20.01 16.75 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.513 0.561 . . . . 0.0 112.513 -175.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.8 p -73.3 -26.81 61.22 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.832 0.348 . . . . 0.0 111.473 -176.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.422 ' H ' ' HG3' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -80.68 166.82 20.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.975 177.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 16' ' ' ARG . 0.1 OUTLIER 75.38 154.8 0.16 Allowed 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.941 0.776 . . . . 0.0 110.831 -177.045 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.73 -65.79 2.33 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 110.556 -1.017 . . . . 0.0 110.556 -178.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.568 ' HG2' ' HG ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -144.37 95.59 2.74 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 174.377 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.5 mt -60.84 -29.56 69.58 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -172.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -66.63 -29.8 69.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.727 0.299 . . . . 0.0 111.183 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.576 ' O ' HG12 ' A' ' 25' ' ' ILE . 76.5 mt -72.15 -33.62 67.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.108 -178.42 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -51.15 -37.26 45.24 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.041 0.448 . . . . 0.0 111.49 -179.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 36.0 t -61.74 -31.87 52.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.676 -177.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.415 ' C ' ' HD2' ' A' ' 27' ' ' PRO . 27.0 m -105.9 -24.32 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -176.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.576 HG12 ' O ' ' A' ' 21' ' ' LEU . 29.1 mm -59.25 -47.24 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 N-CA-C 111.536 0.199 . . . . 0.0 111.536 -178.098 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.653 ' HB2' ' HD3' ' A' ' 27' ' ' PRO . 79.1 mtp -61.28 -52.57 69.98 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -178.125 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.653 ' HD3' ' HB2' ' A' ' 26' ' ' MET . 53.2 Cg_exo -55.93 -41.24 79.16 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.034 1.823 . . . . 0.0 112.803 174.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -62.99 -36.57 83.99 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 121.304 -0.158 . . . . 0.0 111.209 178.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.615 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 88.4 t80 -61.27 -38.86 88.27 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 121.26 -0.176 . . . . 0.0 110.586 178.016 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -59.76 -45.35 92.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.555 0.693 . . . . 0.0 110.17 177.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -66.66 -51.33 57.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.6 -1.182 . . . . 0.0 111.841 -178.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.615 ' SG ' ' HA ' ' A' ' 29' ' ' PHE . 24.3 p -73.44 -24.59 60.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.546 -174.454 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -53.16 -35.44 59.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.322 177.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -63.28 -23.74 67.56 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.428 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.2 m -113.06 -7.01 13.69 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -174.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.525 HD22 ' HG2' ' A' ' 40' ' ' GLU . 70.5 mt -112.36 155.69 23.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.838 0.351 . . . . 0.0 111.189 -176.005 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.8 p -115.65 -172.9 2.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.325 177.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -55.32 -40.03 70.67 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.213 0.32 . . . . 0.0 111.52 -176.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.0 p -59.23 -50.35 74.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.221 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.525 ' HG2' HD22 ' A' ' 36' ' ' LEU . 4.7 mp0 -65.52 -37.8 87.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.131 0.491 . . . . 0.0 110.057 178.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.476 ' O ' HG23 ' A' ' 45' ' ' VAL . 85.5 mt-30 -61.42 -40.95 96.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.345 178.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -66.47 -43.81 84.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.633 0.254 . . . . 0.0 110.831 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.509 ' HB3' HD23 ' A' ' 70' ' ' LEU . 7.1 m-20 -60.07 -40.55 89.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.036 0.445 . . . . 0.0 110.675 176.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.437 ' HB2' ' SD ' ' A' ' 73' ' ' MET . 75.4 t80 -63.84 -48.46 76.66 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.804 179.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 41' ' ' GLN . 90.1 t -62.86 -36.4 75.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.99 179.018 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.89 -36.01 78.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.003 0.43 . . . . 0.0 110.627 177.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 47' ' ' LEU . 20.5 mt -68.02 -37.52 81.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.166 176.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.0 mt -66.28 -21.81 66.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.943 0.402 . . . . 0.0 111.641 -176.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -75.1 -13.02 60.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.941 0.401 . . . . 0.0 110.999 176.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.4 m -123.53 -165.57 1.35 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.073 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -80.11 -175.66 5.14 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 172.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -119.25 53.82 2.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -179.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.95 -55.09 0.22 Allowed 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 121.361 1.374 . . . . 0.0 112.833 -171.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -70.04 -35.02 73.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.678 0.275 . . . . 0.0 110.672 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.601 ' HG ' HG22 ' A' ' 74' ' ' VAL . 6.6 tt -62.81 -49.94 72.95 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 178.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -61.17 -38.03 85.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.388 0.613 . . . . 0.0 110.156 178.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.764 ' HB1' ' HA3' ' A' ' 63' ' ' GLY . . . -60.83 -44.79 96.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.054 -177.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.421 ' HE1' ' N ' ' A' ' 65' ' ' CYS . 14.6 m95 -72.43 -28.84 63.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.557 0.218 . . . . 0.0 111.203 -178.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 55' ' ' LEU . 93.0 t -66.76 -43.67 89.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.973 0.416 . . . . 0.0 110.3 174.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 95.3 mmm -77.98 -19.18 54.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.116 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.24 29.04 34.74 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.186 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -145.72 87.79 1.8 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 -179.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.764 ' HA3' ' HB1' ' A' ' 57' ' ' ALA . . . 159.72 168.77 22.16 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 119.918 -1.134 . . . . 0.0 113.339 175.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -120.26 137.0 54.47 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.421 ' N ' ' HE1' ' A' ' 58' ' ' TRP . 46.1 t -93.45 150.48 20.42 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 -178.231 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -59.81 -40.9 89.95 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 123.762 0.664 . . . . 0.0 111.167 -177.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -151.0 156.99 42.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.007 177.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 32.3 mt -75.73 -14.26 60.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.511 -176.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.76 -47.01 92.95 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.766 -0.73 . . . . 0.0 111.517 173.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.509 HD23 ' HB3' ' A' ' 43' ' ' ASP . 97.9 mt -67.37 -44.08 79.84 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.069 0.461 . . . . 0.0 110.172 175.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.32 -29.61 69.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.536 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.58 ' O ' ' HG2' ' A' ' 76' ' ' LYS . . . -60.08 -41.41 92.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.902 178.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.463 ' HE2' ' HA ' ' A' ' 70' ' ' LEU . 60.9 mtm -63.59 -44.79 93.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.156 0.503 . . . . 0.0 109.862 178.528 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.601 HG22 ' HG ' ' A' ' 55' ' ' LEU . 37.0 t -61.66 -41.19 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.605 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -58.15 -40.15 80.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.415 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 57.2 mmtt -67.63 -40.93 84.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.076 0.465 . . . . 0.0 110.234 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 74.1 mt -64.85 -45.56 94.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.206 177.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 74' ' ' VAL . 99.0 t -62.04 -39.41 83.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.736 178.126 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.63 -43.05 97.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.968 0.413 . . . . 0.0 110.816 178.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -71.18 -36.17 71.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.225 0.536 . . . . 0.0 110.148 178.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.436 ' O ' HG23 ' A' ' 85' ' ' VAL . 55.8 t30 -65.65 -33.72 76.55 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.842 178.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 31.7 tp -53.67 -38.9 64.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.043 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.0 t -65.6 -36.74 84.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.261 176.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -65.45 -33.64 76.41 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.186 176.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 81' ' ' ASN . 59.3 t -64.61 -36.52 77.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.383 178.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -76.63 -48.21 19.8 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.073 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 tt -64.57 -50.71 66.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.182 0.515 . . . . 0.0 109.899 -179.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -95.32 88.22 5.06 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.625 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -56.87 109.82 0.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.394 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.512 ' HB2' ' HD2' ' A' ' 91' ' ' HIS . 33.4 m170 -114.51 -46.94 2.93 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.914 177.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.512 ' HD2' ' HB2' ' A' ' 90' ' ' HIS . 3.1 p80 -156.24 -2.68 0.12 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.523 -177.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -143.21 155.59 44.56 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.432 -0.21 . . . . 0.0 110.432 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -154.77 -174.99 5.2 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 175.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 66.5 t60 . . . . . 0 C--O 1.245 0.847 0 CA-C-O 118.548 -0.739 . . . . 0.0 110.116 -178.319 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.638 0.256 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.564 ' HB2' ' HE1' ' A' ' 33' ' ' PHE . 86.1 m-85 -122.41 145.46 48.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.895 0.379 . . . . 0.0 110.827 -178.125 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.423 ' H ' ' HB2' ' A' ' 6' ' ' GLN . 1.3 p -138.12 -170.67 2.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.863 -178.057 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.67 -45.63 93.42 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -174.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -66.91 -36.71 82.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.153 0.502 . . . . 0.0 110.203 -178.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.481 ' O ' HG13 ' A' ' 10' ' ' ILE . 17.8 mm-40 -59.25 -38.28 79.65 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.819 175.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -57.48 -38.1 73.98 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.904 0.383 . . . . 0.0 110.698 178.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.69 -42.79 85.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.317 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.433 ' HD2' ' OE1' ' A' ' 6' ' ' GLN . 75.0 mtt180 -64.51 -36.79 85.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.39 178.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 6' ' ' GLN . 88.0 mt -64.46 -43.29 96.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.3 176.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -60.28 -35.23 75.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.692 177.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -64.53 -23.93 67.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.796 0.331 . . . . 0.0 111.4 176.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.32 12.24 18.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.478 -179.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.4 p -67.29 -26.34 66.49 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 176.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 71.51 108.08 0.06 Allowed 'General case' 0 CA--C 1.528 0.129 0 O-C-N 124.185 0.928 . . . . 0.0 110.645 177.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.46 ' HD3' ' H ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -59.72 132.77 54.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.464 -177.363 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 168.31 -44.41 0.23 Allowed Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.986 -0.626 . . . . 0.0 111.711 -177.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.521 ' HE2' ' HB2' ' A' ' 20' ' ' GLU . 24.5 ptm -153.56 138.49 17.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.796 0.331 . . . . 0.0 110.132 175.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.3 mt -81.56 -23.0 37.46 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.347 -175.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.521 ' HB2' ' HE2' ' A' ' 18' ' ' MET . 5.9 mm-40 -62.08 -20.85 64.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.331 -177.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 28.1 mt -81.7 -40.32 22.95 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.914 177.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -61.72 -42.26 98.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.945 0.402 . . . . 0.0 110.924 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.0 m -72.4 -10.78 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -175.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.0 m -106.37 -14.91 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.484 -0.486 . . . . 0.0 111.339 177.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 73.6 mt -94.26 -57.29 4.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.511 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.654 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 27.3 ttt -61.55 -53.06 65.14 Favored Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -173.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.654 ' HD3' ' HB3' ' A' ' 26' ' ' MET . 48.6 Cg_exo -58.62 -30.28 91.64 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 121.978 1.785 . . . . 0.0 112.169 177.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 76' ' ' LYS . 92.6 t80 -69.2 -45.25 70.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.101 178.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.408 ' O ' ' HB2' ' A' ' 33' ' ' PHE . 69.9 t80 -60.83 -39.71 90.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.468 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.3 -41.17 79.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.962 0.411 . . . . 0.0 111.587 179.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -83.22 -47.14 11.87 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.733 -178.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.5 t -81.31 -17.39 49.43 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.216 -169.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.564 ' HE1' ' HB2' ' A' ' 2' ' ' TYR . 67.7 t80 -48.94 -39.09 24.96 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 122.658 0.383 . . . . 0.0 111.941 -177.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -69.2 -23.71 63.94 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.785 0.326 . . . . 0.0 111.625 -178.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.5 m -101.72 -23.86 14.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.733 0.302 . . . . 0.0 111.535 -176.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.442 ' HB3' ' HG3' ' A' ' 41' ' ' GLN . 91.7 mt -72.13 136.06 46.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.959 0.409 . . . . 0.0 111.171 -178.098 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 61.2 p -84.41 163.96 19.19 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.294 176.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.61 -40.08 74.72 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.452 176.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.8 m -58.21 -51.93 67.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.086 178.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -61.9 -48.08 82.08 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.622 0.725 . . . . 0.0 110.119 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.557 ' HB3' ' CE2' ' A' ' 2' ' ' TYR . 14.4 mt-30 -61.05 -35.14 76.15 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.762 -1.108 . . . . 0.0 112.499 -175.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -75.11 -46.34 35.16 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.824 0.345 . . . . 0.0 110.975 -178.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -69.31 -33.58 73.37 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.289 -177.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.445 ' HD1' ' HB3' ' A' ' 73' ' ' MET . 70.0 t80 -61.56 -50.25 73.38 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.803 177.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.7 t -70.01 -38.6 75.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.759 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.68 -32.11 68.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.567 178.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.494 HD13 HD13 ' A' ' 70' ' ' LEU . 59.5 tp -64.94 -39.63 93.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.286 -179.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.0 mt -69.25 -17.99 63.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.198 -173.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -68.27 -40.34 81.87 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -176.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.5 m -124.29 113.31 18.07 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.398 -179.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 t70 51.21 -160.3 0.09 Allowed 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.582 176.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.51 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 9.4 p-10 -155.64 52.58 0.7 Allowed Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.121 176.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.51 ' HD3' ' N ' ' A' ' 52' ' ' ASP . 3.5 Cg_exo -75.02 -48.68 0.16 Allowed 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.307 2.005 . . . . 0.0 112.53 -171.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -66.62 -34.43 77.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.194 0.521 . . . . 0.0 110.053 178.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.3 tt -71.5 -51.75 21.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.069 -178.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -56.81 -39.12 73.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.051 178.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.23 -52.05 66.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.32 -176.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.541 ' HB2' HG11 ' A' ' 74' ' ' VAL . 18.2 m95 -77.9 -31.09 50.99 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.585 -174.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 77.9 t -68.86 -45.58 80.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 110.91 177.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.2 mmt -82.6 -13.54 56.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.897 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.3 47.27 90.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.832 178.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -144.03 28.46 1.39 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.439 0.161 . . . . 0.0 111.1 -175.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -168.6 -165.65 26.35 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 119.715 -1.231 . . . . 0.0 113.548 -177.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -141.8 158.96 43.16 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 -178.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.58 ' SG ' ' HB2' ' A' ' 71' ' ' ALA . 28.4 p -105.61 166.18 10.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.663 0.268 . . . . 0.0 110.401 -179.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -78.48 -47.6 17.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.939 176.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -126.65 149.72 49.36 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 178.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.4 ' HA ' ' HB3' ' A' ' 71' ' ' ALA . 16.0 mt -77.4 -14.97 59.59 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -178.087 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.34 -47.76 89.5 Favored Glycine 0 CA--C 1.516 0.13 0 C-N-CA 120.537 -0.84 . . . . 0.0 111.473 176.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.494 HD13 HD13 ' A' ' 47' ' ' LEU . 40.1 mt -66.62 -35.0 79.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.957 0.408 . . . . 0.0 110.243 173.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.58 ' HB2' ' SG ' ' A' ' 65' ' ' CYS . . . -62.61 -38.04 88.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.028 179.071 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.18 -35.22 79.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.897 0.379 . . . . 0.0 110.615 177.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.483 ' HA ' ' CE ' ' A' ' 73' ' ' MET . 19.5 mmt -71.24 -46.74 60.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.43 177.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.541 HG11 ' HB2' ' A' ' 58' ' ' TRP . 61.2 t -64.04 -37.98 81.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.853 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -54.95 -45.94 74.95 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.072 177.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 96.2 mttt -65.62 -34.42 78.19 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.625 178.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 73' ' ' MET . 71.9 mt -64.94 -47.56 87.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.18 175.089 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 74' ' ' VAL . 99.1 t -59.02 -46.42 91.71 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.838 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.59 -41.16 80.63 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.218 0.532 . . . . 0.0 110.732 178.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -69.55 -38.46 77.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.523 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.443 ' O ' HG23 ' A' ' 85' ' ' VAL . 63.7 t30 -69.47 -45.93 67.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 179.335 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 69.1 mt -56.51 -30.68 63.3 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 121.0 0.429 . . . . 0.0 110.776 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.667 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 49.5 m -65.4 -49.43 69.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.402 178.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.463 ' HA ' HD12 ' A' ' 87' ' ' LEU . 17.4 ptmt -69.38 -22.92 63.68 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.521 -0.471 . . . . 0.0 110.861 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 81' ' ' ASN . 84.2 t -76.74 -42.55 33.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.805 0.336 . . . . 0.0 110.495 176.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.533 ' HG2' ' O ' ' A' ' 83' ' ' SER . 38.7 ptt180 -72.24 -15.0 61.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.967 -178.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.667 ' HG ' ' O ' ' A' ' 83' ' ' SER . 52.4 mt -64.49 -39.69 94.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.408 176.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 62.87 135.18 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -176.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 60.41 -145.78 0.48 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.043 -177.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 33.2 t60 68.28 17.65 9.27 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 122.886 0.474 . . . . 0.0 110.936 176.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 60.95 21.86 12.1 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.029 173.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 62.97 16.14 8.98 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 176.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 80.4 t60 61.51 60.79 1.6 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.989 0.9 . . . . 0.0 109.869 -174.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.4 m170 . . . . . 0 C--O 1.244 0.801 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.679 177.868 . . . . . . . . 0 0 . 1 stop_ save_