data_2jng_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 2jng _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 ' 14' ' ' TYR . . . . . 0.448 ' O ' HG22 ' A' ' 18' ' ' VAL . 46.3 t80 . . . . . 0 N--CA 1.438 -1.043 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.418 ' HA ' ' HB3' ' A' ' 70' ' ' TRP . . . -56.21 -35.78 67.71 Favored 'General case' 0 C--O 1.241 0.64 0 O-C-N 124.246 0.966 . . . . 0.0 111.511 174.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.4 tp -72.69 -46.41 53.9 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.609 0.719 . . . . 0.0 110.973 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -57.33 -55.18 38.14 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.332 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 14' ' ' TYR . 29.1 m -61.9 -44.26 98.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.63 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -54.4 -37.4 65.02 Favored 'General case' 0 C--O 1.209 -1.076 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -65.35 -42.29 93.0 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-O 121.023 0.44 . . . . 0.0 110.429 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.0 m -88.81 -29.33 19.82 Favored 'General case' 0 C--O 1.244 0.8 0 O-C-N 121.381 -0.824 . . . . 0.0 111.215 -175.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.59 89.3 2.21 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.649 ' N ' HE21 ' A' ' 23' ' ' GLN . 0.0 OUTLIER -102.83 157.4 33.79 Favored Pre-proline 0 C--N 1.312 -1.033 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.794 173.31 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.419 ' HA ' ' O ' ' A' ' 45' ' ' PHE . 76.5 Cg_exo -48.09 113.59 0.86 Allowed 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.167 1.912 . . . . 0.0 112.169 175.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.06 -15.54 8.85 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.911 -176.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 22.5 mmt -77.15 125.8 29.91 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 121.309 0.576 . . . . 0.0 109.929 174.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -76.79 149.36 36.26 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-O 121.198 0.523 . . . . 0.0 110.007 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.1 m -134.83 155.84 38.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 -176.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.714 ' HB2' HD13 ' A' ' 76' ' ' LEU . 50.5 ttt85 -123.77 137.32 54.7 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.388 174.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.456 ' HG2' HG22 ' A' ' 37' ' ' ILE . 12.8 tpt -78.01 110.26 12.79 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.0 tp -89.17 -25.36 21.85 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.153 -1.385 . . . . 0.0 110.593 -171.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.434 ' O ' ' HG3' ' A' ' 30' ' ' MET . 19.8 t70 -120.32 154.46 34.99 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.548 ' OD1' ' HA ' ' A' ' 38' ' ' SER . 20.4 t70 -96.06 127.99 42.56 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 120.661 -0.416 . . . . 0.0 109.953 179.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -156.61 116.62 3.56 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 120.315 -0.554 . . . . 0.0 112.029 -170.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 60.85 -124.66 0.94 Allowed 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.577 1.151 . . . . 0.0 111.276 174.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -70.65 -24.7 62.76 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.9 0.857 . . . . 0.0 111.504 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.456 HG22 ' HG2' ' A' ' 30' ' ' MET . 27.4 mm -91.62 145.69 7.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -174.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.548 ' HA ' ' OD1' ' A' ' 33' ' ' ASP . 22.2 m -120.26 149.73 41.82 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.061 -176.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.05 129.79 43.53 Favored 'General case' 0 N--CA 1.446 -0.673 0 O-C-N 123.458 0.474 . . . . 0.0 111.203 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.44 -12.46 47.44 Favored Glycine 0 C--N 1.317 -0.515 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.619 -177.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.447 ' CG ' ' HG ' ' A' ' 61' ' ' SER . 28.8 t0 -62.88 143.14 57.91 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -122.75 146.99 47.02 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.69 -171.23 27.48 Favored Glycine 0 N--CA 1.438 -1.22 0 C-N-CA 120.94 -0.647 . . . . 0.0 111.685 -174.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -123.11 148.85 45.22 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 -177.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.419 ' O ' ' HA ' ' A' ' 24' ' ' PRO . 22.0 t80 -86.86 113.82 22.99 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.552 0.691 . . . . 0.0 109.243 178.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.0 mmm180 -91.07 -50.48 5.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.221 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.499 ' HG3' ' HB3' ' A' ' 56' ' ' GLN . 4.3 pt20 -167.21 165.91 15.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.544 -177.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.477 ' HB3' HG22 ' A' ' 55' ' ' VAL . 25.3 p . . . . . 0 C--N 1.32 -0.685 0 CA-C-O 121.155 0.503 . . . . 0.0 111.341 178.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.528 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 6.9 Cg_endo . . . . . 0 CA--C 1.544 1.021 0 N-CA-C 116.145 1.556 . . . . 0.0 116.145 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 10.0 Cg_endo -54.75 124.8 17.1 Favored 'Trans proline' 0 C--N 1.368 1.56 0 C-N-CA 122.214 1.943 . . . . 0.0 114.183 -177.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.651 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 4.6 p -129.07 137.62 56.67 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.496 177.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.732 HE21 ' HA ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -92.45 107.2 19.03 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 -176.576 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.8 t -124.59 139.74 49.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.885 -177.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -97.24 118.55 33.92 Favored 'General case' 0 C--N 1.315 -0.891 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 176.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -94.73 122.75 37.66 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 121.65 0.738 . . . . 0.0 110.367 -177.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -70.16 -49.64 48.4 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 114.085 -1.416 . . . . 0.0 112.34 -171.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.447 ' HG ' ' CG ' ' A' ' 41' ' ' ASP . 59.8 p -66.09 -34.83 78.96 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.74 -171.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.1 p -83.26 -50.5 8.34 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.484 0.659 . . . . 0.0 109.782 176.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.5 21.79 18.45 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 -179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -119.84 141.02 49.91 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 -178.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.9 m -85.79 137.09 33.03 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 170.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -143.15 146.29 33.59 Favored 'General case' 0 C--N 1.314 -0.955 0 O-C-N 123.308 0.38 . . . . 0.0 110.389 -171.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.651 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 8.8 m-90 -89.04 113.85 25.01 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 171.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.4 t -104.23 -155.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.671 -171.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 32.2 m-70 -138.28 133.99 33.77 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 -172.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.418 ' HB3' ' HA ' ' A' ' 15' ' ' ALA . 89.5 m95 -52.18 -45.37 65.11 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 -177.008 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.443 ' HA ' ' CD2' ' A' ' 14' ' ' TYR . 6.5 p80 -69.03 -11.38 60.74 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -173.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 20.1 ptp -112.1 13.06 20.6 Favored 'General case' 0 C--O 1.221 -0.43 0 O-C-N 121.679 -0.638 . . . . 0.0 111.549 -178.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.633 HD12 HG11 ' A' ' 55' ' ' VAL . 77.7 mt -99.78 128.28 45.88 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.445 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.481 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . 9.4 tp10 -100.05 125.66 46.14 Favored 'General case' 0 C--O 1.223 -0.341 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 173.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.6 tt -83.13 127.66 39.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.277 0.56 . . . . 0.0 111.927 -174.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.714 HD13 ' HB2' ' A' ' 29' ' ' ARG . 85.2 mt . . . . . 0 C--O 1.238 0.484 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 176.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.5 t80 . . . . . 0 N--CA 1.45 -0.437 0 CA-C-O 121.559 0.695 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.497 ' HB2' ' HB3' ' A' ' 71' ' ' HIS . . . -63.13 -29.99 71.23 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.523 178.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 36.5 tp -70.85 -44.82 65.63 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-O 121.705 0.764 . . . . 0.0 110.155 -178.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -64.69 -53.54 45.73 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 114.519 -1.218 . . . . 0.0 110.63 177.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.475 HG23 ' HA ' ' A' ' 15' ' ' ALA . 34.2 m -62.91 -44.83 99.86 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 O-C-N 123.429 0.455 . . . . 0.0 112.148 -175.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.429 ' HA ' ' CZ3' ' A' ' 70' ' ' TRP . 46.2 ptt85 -59.14 -25.74 64.15 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 118.48 0.582 . . . . 0.0 111.861 -178.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -87.62 -43.95 11.58 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.933 -0.479 . . . . 0.0 111.771 -177.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.2 m -82.97 -24.6 32.88 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.299 0.571 . . . . 0.0 111.952 -173.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.437 HD12 ' HB3' ' A' ' 26' ' ' MET . 19.1 tp -70.93 94.52 1.08 Allowed 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.178 0.513 . . . . 0.0 111.488 -176.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -80.69 152.37 72.29 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.689 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -57.02 110.96 0.67 Allowed 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.399 2.066 . . . . 0.0 111.429 176.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.17 -9.44 24.83 Favored Glycine 0 CA--C 1.519 0.333 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.99 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.437 ' HB3' HD12 ' A' ' 22' ' ' LEU . 47.2 ttm -76.15 134.81 39.84 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.368 0.604 . . . . 0.0 110.978 -178.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -74.91 150.02 39.27 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.189 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.432 HG21 HG12 ' A' ' 57' ' ' VAL . 25.5 m -134.37 157.32 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.119 -177.044 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.488 ' HB2' HD11 ' A' ' 76' ' ' LEU . 27.9 ttp-105 -126.67 143.79 51.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.607 177.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.459 ' HE1' ' HE2' ' A' ' 72' ' ' MET . 11.4 tpt -87.06 141.08 28.92 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.168 177.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.418 ' N ' HD13 ' A' ' 31' ' ' LEU . 5.7 mp -94.98 -43.65 8.06 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-O 121.503 0.668 . . . . 0.0 111.337 -175.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -134.99 155.73 50.26 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 114.999 -1.001 . . . . 0.0 111.551 -176.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -74.28 135.1 42.61 Favored 'General case' 0 C--O 1.245 0.836 0 C-N-CA 122.377 0.271 . . . . 0.0 110.349 -175.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.4 ' C ' ' H ' ' A' ' 36' ' ' GLU . 61.8 t80 -155.6 98.82 1.98 Allowed 'General case' 0 C--O 1.244 0.779 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -171.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.482 ' HG2' ' HG3' ' A' ' 36' ' ' GLU . 42.3 tt0 69.47 -30.85 0.2 Allowed 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 165.303 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.482 ' HG3' ' HG2' ' A' ' 35' ' ' GLU . 37.1 mt-10 -163.46 -38.24 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 122.888 0.475 . . . . 0.0 110.312 -169.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.9 mm -101.4 150.06 6.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.304 -0.862 . . . . 0.0 108.932 -177.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.8 t -117.9 155.78 29.59 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.939 0.4 . . . . 0.0 110.28 -175.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.3 123.64 17.87 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.118 175.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.71 -13.49 50.23 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.874 -176.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -66.25 150.03 49.43 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 117.699 0.75 . . . . 0.0 110.39 175.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -129.65 150.08 51.13 Favored 'General case' 0 C--O 1.244 0.8 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.897 -177.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -158.08 -171.81 24.46 Favored Glycine 0 CA--C 1.501 -0.815 0 C-N-CA 120.648 -0.787 . . . . 0.0 111.851 -177.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -126.76 150.69 48.97 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.958 0.885 . . . . 0.0 109.379 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -95.07 118.67 32.28 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.008 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 54.8 mtp85 -107.94 -51.97 2.83 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.926 0.393 . . . . 0.0 111.694 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.518 ' C ' ' HG ' ' A' ' 48' ' ' SER . 2.0 pt20 -159.76 148.36 17.49 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.21 -175.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.734 ' OG ' HG23 ' A' ' 55' ' ' VAL . 59.9 m . . . . . 0 N--CA 1.445 -0.723 0 CA-C-O 121.337 0.589 . . . . 0.0 111.729 -175.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.523 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 9.2 Cg_endo . . . . . 0 CA--C 1.551 1.333 0 N-CA-C 116.914 1.852 . . . . 0.0 116.914 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 11.7 Cg_endo -53.96 114.25 1.7 Allowed 'Trans proline' 0 C--N 1.368 1.583 0 C-N-CA 122.1 1.867 . . . . 0.0 114.132 -174.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.734 HG23 ' OG ' ' A' ' 48' ' ' SER . 2.3 p -118.9 127.82 75.76 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-N 115.131 -0.941 . . . . 0.0 108.858 176.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.401 ' HB3' ' O ' ' A' ' 47' ' ' GLN . 36.3 tt0 -93.17 112.95 25.04 Favored 'General case' 0 C--N 1.314 -0.975 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.615 -177.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.432 HG12 HG21 ' A' ' 28' ' ' VAL . 91.3 t -121.24 131.67 72.46 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.503 -177.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.404 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 71.5 t80 -88.66 113.42 24.2 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 175.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -91.03 111.53 23.03 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.218 -177.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -84.34 -25.58 29.09 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-O 121.226 0.536 . . . . 0.0 111.822 -170.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.9 p -69.39 -33.62 73.3 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.504 177.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.6 m -90.15 -54.36 4.06 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.489 0.662 . . . . 0.0 110.092 174.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.07 22.63 6.14 Favored Glycine 0 C--N 1.318 -0.453 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.41 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -137.35 148.91 46.62 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' A' ' 58' ' ' PHE . 2.1 m -84.97 145.62 27.64 Favored 'General case' 0 C--N 1.317 -0.827 0 O-C-N 123.487 0.492 . . . . 0.0 109.876 175.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -148.16 148.19 30.29 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 123.389 0.431 . . . . 0.0 110.322 -176.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.477 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 23.6 m-90 -95.77 116.04 28.31 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 174.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.422 ' O ' HG13 ' A' ' 55' ' ' VAL . 0.7 OUTLIER -109.41 -177.78 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 -175.388 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.668 ' O ' ' HG2' ' A' ' 72' ' ' MET . 55.3 m-70 -99.69 136.29 39.85 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 171.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.429 ' CZ3' ' HA ' ' A' ' 19' ' ' ARG . 91.0 m95 -49.22 -44.72 43.59 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -177.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.497 ' HB3' ' HB2' ' A' ' 15' ' ' ALA . 1.5 p-80 -67.69 -4.44 12.17 Favored 'General case' 0 C--O 1.213 -0.85 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -172.046 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.668 ' HG2' ' O ' ' A' ' 69' ' ' HIS . 12.7 ptm -117.77 21.09 13.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 118.597 0.635 . . . . 0.0 111.393 -178.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.469 HD11 HG11 ' A' ' 55' ' ' VAL . 95.7 mt -108.56 136.38 48.25 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 122.061 -0.399 . . . . 0.0 110.715 178.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.405 ' HG3' ' NH2' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -106.84 134.39 50.06 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 177.195 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.46 ' CD1' ' HA ' ' A' ' 18' ' ' VAL . 21.3 mt -95.58 135.32 30.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.851 0.357 . . . . 0.0 111.862 -175.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.488 HD11 ' HB2' ' A' ' 29' ' ' ARG . 8.9 mp . . . . . 0 N--CA 1.465 0.287 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 171.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.402 ' O ' HG12 ' A' ' 18' ' ' VAL . 77.6 t80 . . . . . 0 N--CA 1.451 -0.393 0 CA-C-O 121.478 0.656 . . . . 0.0 110.044 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.534 ' HB2' ' HB2' ' A' ' 70' ' ' TRP . . . -65.7 -34.66 78.72 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.549 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.511 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 4.2 pp -76.59 -26.36 54.96 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.529 0.68 . . . . 0.0 110.233 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -72.59 -53.56 11.56 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-O 121.181 0.515 . . . . 0.0 111.088 174.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.442 HG21 ' HA ' ' A' ' 15' ' ' ALA . 33.2 m -56.46 -32.24 35.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -176.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.511 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -65.84 -17.28 64.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.425 0.631 . . . . 0.0 111.402 -179.691 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -83.84 -40.01 19.22 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.897 0.856 . . . . 0.0 110.639 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.3 m -81.29 -41.28 22.38 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.901 -178.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.679 HD23 ' HB ' ' A' ' 75' ' ' ILE . 0.5 OUTLIER -83.08 98.73 9.46 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.938 0.875 . . . . 0.0 110.397 -177.791 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.563 ' HG2' ' HE2' ' A' ' 26' ' ' MET . 12.3 pt20 -90.11 161.57 37.5 Favored Pre-proline 0 C--O 1.238 0.476 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.845 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.429 ' HA ' ' CD2' ' A' ' 45' ' ' PHE . 62.0 Cg_exo -52.49 122.24 10.48 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.353 2.702 . . . . 0.0 111.811 177.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.73 -22.85 15.97 Favored Glycine 0 C--O 1.218 -0.88 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.804 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.563 ' HE2' ' HG2' ' A' ' 23' ' ' GLN . 42.1 mtt -76.09 148.97 37.52 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.139 0.495 . . . . 0.0 111.347 -177.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.503 ' HB3' HD22 ' A' ' 76' ' ' LEU . 20.8 mtt180 -82.61 159.36 22.73 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.865 0.84 . . . . 0.0 112.406 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.6 m -141.82 155.03 19.67 Favored 'Isoleucine or valine' 0 C--O 1.242 0.686 0 CA-C-N 114.538 -1.21 . . . . 0.0 111.295 -179.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -124.87 132.29 53.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.933 0.397 . . . . 0.0 110.572 175.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.613 ' HE2' ' HB3' ' A' ' 72' ' ' MET . 15.7 tpt -81.03 125.54 30.3 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.049 0.452 . . . . 0.0 111.106 -179.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.568 HD11 ' HB2' ' A' ' 74' ' ' GLU . 96.4 mt -94.1 -17.17 23.09 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -175.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -128.04 165.2 20.77 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 122.123 -0.36 . . . . 0.0 111.101 -175.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -84.83 124.23 31.35 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 174.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -146.95 92.82 2.18 Favored 'General case' 0 C--O 1.244 0.764 0 O-C-N 122.077 -0.389 . . . . 0.0 110.434 -174.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 59.74 -113.43 0.63 Allowed 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.143 178.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -75.57 -21.16 58.11 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.088 -176.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 26.2 mm -96.78 142.99 13.14 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-O 120.821 0.344 . . . . 0.0 110.315 -178.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.3 m -116.94 157.86 25.03 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.47 -178.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.31 125.75 24.9 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 176.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.21 -12.44 44.32 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.97 -0.633 . . . . 0.0 113.453 -177.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -64.85 146.77 54.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 117.528 0.664 . . . . 0.0 110.214 176.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -129.16 151.48 49.79 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 120.996 0.427 . . . . 0.0 110.269 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.41 ' O ' ' HG2' ' A' ' 27' ' ' ARG . . . -163.96 -171.35 30.1 Favored Glycine 0 N--CA 1.436 -1.357 0 C-N-CA 121.243 -0.503 . . . . 0.0 112.869 -178.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -120.43 143.83 48.27 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 110.537 -0.172 . . . . 0.0 110.537 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.429 ' CD2' ' HA ' ' A' ' 24' ' ' PRO . 56.5 t80 -86.05 115.16 23.47 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -179.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.401 ' HA ' ' NE ' ' A' ' 46' ' ' ARG . 4.0 mmp_? -83.4 -55.75 4.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.884 -177.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.8 pm0 -173.02 169.7 4.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.879 -175.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.6 p . . . . . 0 C--N 1.329 -0.325 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 -179.674 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.468 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 35.6 Cg_exo . . . . . 0 CA--C 1.543 0.973 0 N-CA-C 113.58 0.569 . . . . 0.0 113.58 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 34.5 Cg_endo -65.59 135.82 43.71 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 121.722 1.615 . . . . 0.0 111.695 176.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.495 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 7.4 p -129.28 140.37 49.36 Favored 'Isoleucine or valine' 0 C--O 1.246 0.915 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -177.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -94.97 107.08 19.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.59 0.709 . . . . 0.0 109.828 -177.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 86.8 t -121.74 138.51 51.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.523 -176.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -93.33 112.1 23.94 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.648 174.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.49 ' CH2' ' HB2' ' A' ' 30' ' ' MET . 98.0 m95 -91.27 112.78 24.83 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -178.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.406 ' HG3' ' HA2' ' A' ' 43' ' ' GLY . 46.7 mt-10 -75.17 -31.36 60.96 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.022 -170.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.4 p -67.54 -35.1 78.41 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.83 0.824 . . . . 0.0 111.231 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.73 -50.9 7.21 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.459 0.647 . . . . 0.0 110.171 175.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.24 11.76 23.18 Favored Glycine 0 N--CA 1.44 -1.085 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.363 175.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.91 163.39 29.95 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 122.539 -0.389 . . . . 0.0 110.188 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.4 p -86.89 149.56 24.72 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.194 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -148.01 148.39 30.67 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 121.192 0.52 . . . . 0.0 109.817 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.495 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 13.4 m-90 -92.32 115.46 28.11 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 174.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.425 HG12 ' H ' ' A' ' 69' ' ' HIS . 2.2 t -113.65 179.91 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.425 ' H ' HG12 ' A' ' 68' ' ' VAL . 29.9 m-70 -102.67 136.14 43.05 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 168.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.534 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 96.1 m95 -44.47 -46.52 9.71 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -173.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.42 ' HB3' ' HB1' ' A' ' 15' ' ' ALA . 3.1 p-80 -73.75 0.0 14.35 Favored 'General case' 0 C--O 1.221 -0.447 0 C-N-CA 119.813 -0.755 . . . . 0.0 113.034 -172.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.613 ' HB3' ' HE2' ' A' ' 30' ' ' MET . 15.8 mmt -84.33 -23.98 29.98 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-O 121.131 0.491 . . . . 0.0 111.694 178.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.3 pp -111.76 151.27 29.16 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-O 122.289 1.042 . . . . 0.0 111.081 -172.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.568 ' HB2' HD11 ' A' ' 31' ' ' LEU . 42.1 tt0 -99.21 139.91 34.17 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 113.85 -1.523 . . . . 0.0 108.666 175.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.679 ' HB ' HD23 ' A' ' 22' ' ' LEU . 32.2 pt -80.47 112.29 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.122 0 CA-C-O 121.139 0.495 . . . . 0.0 109.936 -178.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.503 HD22 ' HB3' ' A' ' 27' ' ' ARG . 35.2 tp . . . . . 0 C--N 1.317 -0.816 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.403 -175.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 78.2 t80 . . . . . 0 C--O 1.237 0.416 0 CA-C-O 121.382 0.611 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.36 -29.88 71.11 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.343 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.8 tp -73.73 -38.96 64.63 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.836 -179.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -65.23 -53.04 50.34 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.65 178.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.1 m -60.59 -37.64 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.285 -176.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.405 ' HA ' ' CZ3' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -57.62 -29.0 64.18 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 122.201 0.2 . . . . 0.0 110.733 179.727 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -74.89 -52.41 11.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.884 0.373 . . . . 0.0 111.943 -178.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.2 m -83.69 -32.23 25.67 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.005 0.431 . . . . 0.0 111.744 -173.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.497 ' HA ' ' SD ' ' A' ' 26' ' ' MET . 38.9 tp -68.34 96.56 0.67 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.947 0.404 . . . . 0.0 110.822 -176.128 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -93.32 167.24 14.46 Favored Pre-proline 0 N--CA 1.441 -0.914 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.945 176.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' A' ' 45' ' ' PHE . 23.5 Cg_exo -62.81 130.88 30.89 Favored 'Trans proline' 0 C--O 1.237 0.472 0 C-N-CA 122.574 2.182 . . . . 0.0 110.896 175.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.31 -9.24 62.92 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.293 -0.956 . . . . 0.0 111.721 -178.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.497 ' SD ' ' HA ' ' A' ' 22' ' ' LEU . 52.0 ttm -83.64 132.27 34.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 122.332 -0.511 . . . . 0.0 110.231 179.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.4 mtm180 -81.13 148.78 29.44 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.26 0.552 . . . . 0.0 112.389 -176.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.449 HG22 HD21 ' A' ' 73' ' ' LEU . 30.7 m -133.24 159.21 43.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 114.465 -1.243 . . . . 0.0 110.353 -178.156 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -120.32 129.23 53.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.101 174.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.48 ' HG2' HG21 ' A' ' 37' ' ' ILE . 11.9 tpt -75.38 121.33 22.1 Favored 'General case' 0 C--N 1.315 -0.891 0 N-CA-C 109.732 -0.469 . . . . 0.0 109.732 178.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.485 HD21 ' HB2' ' A' ' 74' ' ' GLU . 97.7 mt -92.37 -9.04 43.2 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 113.261 0.838 . . . . 0.0 113.261 -174.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -147.46 155.83 42.28 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 121.431 -0.793 . . . . 0.0 110.962 -177.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.582 ' HA ' ' HA ' ' A' ' 38' ' ' SER . 20.7 t70 -87.31 130.53 34.58 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.032 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.429 ' HB2' ' HE1' ' A' ' 72' ' ' MET . 81.4 t80 -154.58 98.93 2.13 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.048 -171.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 16.9 mt-10 57.72 -1.04 0.08 Allowed 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 116.194 1.924 . . . . 0.0 116.194 166.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 35' ' ' GLU . 34.6 tt0 177.36 -42.96 0.01 OUTLIER 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 177.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.48 HG21 ' HG2' ' A' ' 30' ' ' MET . 25.9 mm -95.62 146.59 6.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.315 -178.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.582 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 49.8 m -123.03 160.69 25.8 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 120.875 0.369 . . . . 0.0 111.462 -173.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.04 124.31 20.15 Favored 'General case' 0 C--O 1.245 0.824 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.523 178.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.74 -14.47 45.79 Favored Glycine 0 C--N 1.335 0.526 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.614 -177.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.49 ' CG ' ' HB3' ' A' ' 61' ' ' SER . 6.6 t0 -64.68 140.27 58.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 122.075 -0.662 . . . . 0.0 109.329 175.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.516 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 46.3 mt-10 -110.9 145.68 37.88 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -178.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -150.16 174.65 29.52 Favored Glycine 0 N--CA 1.438 -1.188 0 C-N-CA 119.401 -1.38 . . . . 0.0 112.465 -173.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -122.68 142.36 50.77 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 24' ' ' PRO . 85.3 t80 -85.45 116.67 23.9 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -178.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.417 ' HD3' ' HA ' ' A' ' 46' ' ' ARG . 21.0 mmt180 -91.94 -53.37 4.3 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.264 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -168.91 163.45 11.56 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.974 -0.291 . . . . 0.0 110.359 -176.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.8 p . . . . . 0 C--N 1.313 -0.987 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.643 -179.624 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.525 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 52.3 Cg_exo . . . . . 0 CA--C 1.538 0.683 0 N-CA-C 116.157 1.56 . . . . 0.0 116.157 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 9.1 Cg_endo -50.03 128.01 20.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 C-N-CA 122.7 2.267 . . . . 0.0 113.806 -174.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.674 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 8.0 p -128.78 138.29 54.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.359 179.083 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.513 ' NE2' ' HB ' ' A' ' 65' ' ' THR . 6.1 tp60 -98.2 110.0 22.66 Favored 'General case' 0 C--O 1.237 0.434 0 O-C-N 121.633 -0.667 . . . . 0.0 110.088 -175.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.586 HG23 HD23 ' A' ' 73' ' ' LEU . 91.3 t -123.98 132.81 70.77 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.845 -177.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -90.45 112.84 24.62 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.629 177.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.414 ' CZ3' ' HB2' ' A' ' 30' ' ' MET . 91.9 m95 -95.78 123.2 39.25 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -176.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -83.64 -25.21 30.96 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -171.221 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.49 ' HB3' ' CG ' ' A' ' 41' ' ' ASP . 22.8 t -70.94 -35.95 72.41 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.489 0.661 . . . . 0.0 109.604 -178.242 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.3 p -92.4 -39.8 11.24 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.507 0.67 . . . . 0.0 110.529 175.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.59 29.92 9.58 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.675 176.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 57.0 mtt85 -138.1 154.12 49.25 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 122.396 0.278 . . . . 0.0 110.686 -178.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.513 ' HB ' ' NE2' ' A' ' 56' ' ' GLN . 21.6 p -83.13 147.36 28.13 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 169.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -152.8 146.51 25.13 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.389 0.614 . . . . 0.0 110.439 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.674 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 24.3 m-90 -94.97 114.63 26.48 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 178.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.485 ' O ' HG11 ' A' ' 55' ' ' VAL . 1.6 t -115.06 177.22 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.852 -174.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.444 ' HB2' ' HG3' ' A' ' 72' ' ' MET . 2.2 m80 -93.26 134.63 35.27 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 172.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.405 ' CZ3' ' HA ' ' A' ' 19' ' ' ARG . 74.0 m95 -48.59 -47.58 39.71 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -177.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -72.34 4.09 4.07 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -173.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.444 ' HG3' ' HB2' ' A' ' 69' ' ' HIS . 57.8 mtp -97.52 -9.0 27.91 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 122.291 -0.256 . . . . 0.0 110.751 177.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.586 HD23 HG23 ' A' ' 57' ' ' VAL . 8.0 mp -103.51 137.06 42.1 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 120.805 0.336 . . . . 0.0 110.869 -174.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.485 ' HB2' HD21 ' A' ' 31' ' ' LEU . 39.3 tt0 -95.75 134.82 38.24 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 172.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.6 tt -88.1 108.91 19.11 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 CA-C-O 122.519 1.152 . . . . 0.0 110.226 -174.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 82.3 mt . . . . . 0 C--N 1.322 -0.592 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.092 176.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.7 t80 . . . . . 0 C--O 1.241 0.639 0 CA-C-O 121.334 0.588 . . . . 0.0 109.932 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.527 ' HB1' ' HA ' ' A' ' 71' ' ' HIS . . . -59.65 -31.48 69.57 Favored 'General case' 0 N--CA 1.438 -1.044 0 C-N-CA 123.661 0.784 . . . . 0.0 110.519 176.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.6 tp -69.6 -36.05 75.85 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.508 176.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -65.87 -48.9 70.01 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.633 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 19.4 m -63.09 -42.73 97.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.416 177.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -57.94 -41.6 83.14 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.419 0.628 . . . . 0.0 111.03 177.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -56.85 -34.69 68.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.348 -176.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.427 ' HB ' HD11 ' A' ' 75' ' ' ILE . 3.2 m -109.43 -2.86 17.45 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.824 -174.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.67 HD13 ' HZ3' ' A' ' 70' ' ' TRP . 19.6 mt -81.27 100.07 8.96 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 177.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -92.08 161.5 33.07 Favored Pre-proline 0 C--N 1.309 -1.183 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.109 174.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.11 110.57 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.093 1.862 . . . . 0.0 111.787 173.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.25 -8.51 26.83 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.788 -176.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.433 ' HB3' HD22 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -73.01 136.16 45.03 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.202 0.525 . . . . 0.0 110.099 178.656 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.432 HH21 ' CD ' ' A' ' 60' ' ' GLU . 48.3 ttt180 -83.2 151.23 25.77 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.287 -178.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.7 m -137.78 157.43 33.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.74 0.781 . . . . 0.0 111.054 -177.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.489 ' HB2' HD11 ' A' ' 76' ' ' LEU . 43.1 ttp180 -128.47 143.74 51.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.189 174.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 13.2 tpt -80.36 119.36 22.98 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.596 -178.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.0 mt -90.72 -27.03 19.23 Favored 'General case' 0 C--O 1.243 0.74 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -177.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.485 ' HB2' ' HB2' ' A' ' 72' ' ' MET . 1.9 m-20 -113.85 167.99 10.17 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.775 0.321 . . . . 0.0 110.54 -174.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -98.33 126.91 44.03 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.244 0.545 . . . . 0.0 110.038 177.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.411 ' HE2' ' OH ' ' A' ' 66' ' ' TYR . 31.8 t80 -120.97 178.07 4.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.791 -171.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -84.29 28.75 0.61 Allowed 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.651 -175.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -173.45 -41.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.701 0.762 . . . . 0.0 109.34 -175.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 32.5 mm -114.12 157.0 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 113.75 -1.568 . . . . 0.0 108.81 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.3 t -131.06 163.4 27.7 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -176.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.39 128.83 38.25 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-O 121.026 0.441 . . . . 0.0 110.228 -179.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.26 -18.25 42.44 Favored Glycine 0 CA--C 1.521 0.423 0 CA-C-N 115.765 -0.652 . . . . 0.0 113.322 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -62.59 138.29 58.45 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 117.206 0.503 . . . . 0.0 109.905 174.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 39.9 mt-10 -116.5 157.54 25.04 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 121.28 0.562 . . . . 0.0 110.472 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -162.64 -171.37 28.76 Favored Glycine 0 CA--C 1.505 -0.536 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.898 178.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -122.0 148.57 44.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.554 0.692 . . . . 0.0 110.151 -178.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.487 ' HE1' ' HB3' ' A' ' 48' ' ' SER . 71.5 t80 -91.49 120.27 32.16 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.125 -178.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -99.24 -50.65 4.06 Favored 'General case' 0 C--N 1.315 -0.911 0 O-C-N 121.865 -0.522 . . . . 0.0 111.535 179.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -165.49 159.71 17.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.421 0.629 . . . . 0.0 110.688 -175.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.512 ' HB3' HG23 ' A' ' 55' ' ' VAL . 17.9 p . . . . . 0 C--N 1.313 -1.016 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.637 -177.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.501 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 34.6 Cg_exo . . . . . 0 CA--C 1.55 1.312 0 N-CA-C 115.588 1.342 . . . . 0.0 115.588 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 10.0 Cg_endo -52.45 116.9 3.15 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 122.128 1.885 . . . . 0.0 114.424 -173.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.512 HG23 ' HB3' ' A' ' 48' ' ' SER . 2.7 p -129.81 136.56 58.75 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.391 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.891 174.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -95.76 111.91 23.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.619 0.723 . . . . 0.0 110.862 -175.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.5 t -122.9 140.97 45.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.726 -176.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -95.49 111.07 23.04 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 174.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -83.38 113.53 20.8 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.772 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.432 ' CD ' HH21 ' A' ' 27' ' ' ARG . 12.5 pt-20 -77.82 -20.61 52.88 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.341 0.591 . . . . 0.0 110.223 -175.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.2 t -65.42 -43.5 90.33 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.737 177.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.2 m -96.58 -33.34 11.83 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.901 0.858 . . . . 0.0 110.167 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.92 23.72 24.66 Favored Glycine 0 CA--C 1.521 0.462 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.731 178.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -133.07 151.51 52.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.341 0.591 . . . . 0.0 111.296 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -81.31 138.87 35.67 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.296 -0.866 . . . . 0.0 109.538 173.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.411 ' OH ' ' HE2' ' A' ' 34' ' ' TYR . 37.7 t80 -152.1 149.51 28.88 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.442 0.163 . . . . 0.0 111.414 -177.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.505 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 22.1 m-90 -97.02 117.99 32.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.585 178.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.415 HG11 ' H ' ' A' ' 69' ' ' HIS . 1.0 OUTLIER -117.06 -179.58 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -174.32 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.507 ' HB2' ' SD ' ' A' ' 72' ' ' MET . 33.0 m-70 -103.37 136.61 42.8 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.257 0.551 . . . . 0.0 109.856 174.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.67 ' HZ3' HD13 ' A' ' 22' ' ' LEU . 99.1 m95 -52.13 -36.32 50.89 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -179.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.527 ' HA ' ' HB1' ' A' ' 15' ' ' ALA . 12.0 p80 -63.53 -14.22 48.98 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -171.291 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.507 ' SD ' ' HB2' ' A' ' 69' ' ' HIS . 0.6 OUTLIER -115.58 13.31 16.32 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.985 -176.041 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 74.0 mt -106.59 133.39 51.34 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 73.3 tt0 -100.1 135.16 41.95 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.931 176.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.427 HD11 ' HB ' ' A' ' 21' ' ' THR . 7.9 tt -76.41 124.52 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.912 177.151 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.489 HD11 ' HB2' ' A' ' 29' ' ' ARG . 89.1 mt . . . . . 0 C--N 1.319 -0.729 0 CA-C-O 121.407 0.623 . . . . 0.0 109.581 172.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.585 ' HH ' ' HG3' ' A' ' 74' ' ' GLU . 75.1 t80 . . . . . 0 N--CA 1.445 -0.675 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.23 -34.04 68.17 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.009 175.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.0 tp -72.97 -42.33 63.46 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.668 176.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -62.09 -54.77 36.64 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.593 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.739 ' HB ' HD22 ' A' ' 22' ' ' LEU . 27.8 m -57.0 -29.45 31.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 112.916 0.709 . . . . 0.0 112.916 -177.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.64 -49.61 26.78 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 179.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -86.81 -22.46 25.85 Favored 'General case' 0 C--N 1.315 -0.934 0 O-C-N 122.06 -0.4 . . . . 0.0 110.836 -177.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.9 m -87.02 -25.9 24.01 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.022 0.439 . . . . 0.0 110.929 -172.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.739 HD22 ' HB ' ' A' ' 18' ' ' VAL . 3.8 mm? -78.53 100.54 6.95 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.481 0.658 . . . . 0.0 111.236 -178.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.39 137.07 20.69 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.098 172.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -49.62 101.65 0.05 OUTLIER 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 123.046 2.498 . . . . 0.0 111.796 175.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.38 -8.97 6.23 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.748 -175.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 50.3 tpp -82.41 128.59 34.39 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 43' ' ' GLY . 20.0 ttm180 -79.52 141.53 36.59 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 121.332 0.586 . . . . 0.0 112.285 -177.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.593 HG12 HG22 ' A' ' 75' ' ' ILE . 34.1 m -123.2 160.21 26.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.63 -176.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.3 ttt85 -122.7 132.68 54.37 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.565 174.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 13.5 tpt -79.62 105.13 10.7 Favored 'General case' 0 C--O 1.238 0.468 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 172.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.404 ' C ' HD22 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -95.34 -11.26 28.1 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 122.152 -0.342 . . . . 0.0 111.717 -173.852 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -118.54 139.29 51.68 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 175.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -84.39 146.84 27.46 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 122.044 -0.41 . . . . 0.0 110.908 -172.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -153.26 153.91 33.59 Favored 'General case' 0 C--O 1.209 -1.045 0 CA-C-N 115.2 -0.909 . . . . 0.0 108.821 -174.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -39.14 -71.8 0.07 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -67.11 -55.28 14.9 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 122.426 0.29 . . . . 0.0 111.325 -174.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -105.3 136.58 38.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 O-C-N 123.806 0.691 . . . . 0.0 109.645 -177.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.4 m -110.09 155.59 21.69 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.848 -168.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.28 127.26 31.24 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 176.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.65 -14.2 46.26 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.236 -0.983 . . . . 0.0 112.05 -176.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -70.82 144.3 50.83 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-O 121.698 0.761 . . . . 0.0 109.564 177.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -131.54 149.32 52.56 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 -176.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.456 ' HA2' ' HG2' ' A' ' 60' ' ' GLU . . . -166.41 -171.46 32.59 Favored Glycine 0 N--CA 1.434 -1.445 0 C-N-CA 119.402 -1.38 . . . . 0.0 112.942 -177.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -110.18 148.48 31.73 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.642 -0.279 . . . . 0.0 111.471 -178.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.563 ' CG ' HD13 ' A' ' 22' ' ' LEU . 81.4 t80 -86.81 117.92 25.86 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 176.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -90.79 -55.93 3.38 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.576 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 pm0 -172.32 168.67 5.53 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.165 0.507 . . . . 0.0 111.672 -177.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.3 m . . . . . 0 C--O 1.218 -0.578 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.824 178.32 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.453 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 33.0 Cg_exo . . . . . 0 CA--C 1.539 0.766 0 N-CA-C 114.923 1.086 . . . . 0.0 114.923 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 9.5 Cg_endo -55.17 119.98 7.42 Favored 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 121.361 1.374 . . . . 0.0 113.657 -177.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.665 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 9.5 p -127.32 133.37 68.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 114.884 -1.053 . . . . 0.0 108.82 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -99.84 108.88 21.26 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-O 121.488 0.661 . . . . 0.0 110.222 -170.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.433 HG22 HD21 ' A' ' 73' ' ' LEU . 62.2 t -122.83 138.38 53.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.119 -177.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.424 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 43.6 t80 -97.77 120.77 38.75 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.436 0.636 . . . . 0.0 109.468 177.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -100.96 127.99 47.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.41 -176.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.456 ' HG2' ' HA2' ' A' ' 43' ' ' GLY . 8.6 mm-40 -70.33 -40.25 74.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.893 -170.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.8 m -67.27 -39.55 86.07 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 121.684 0.754 . . . . 0.0 111.246 -175.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.4 m -83.3 -31.25 26.98 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.598 177.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.455 ' C ' ' HD2' ' A' ' 64' ' ' ARG . . . 72.2 24.09 76.95 Favored Glycine 0 CA--C 1.524 0.643 0 O-C-N 124.426 1.079 . . . . 0.0 112.284 179.401 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.455 ' HD2' ' C ' ' A' ' 63' ' ' GLY . 8.6 mpt_? -131.8 149.23 52.53 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 115.045 -0.578 . . . . 0.0 109.88 -179.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.424 ' HA ' ' HA ' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -81.71 143.87 31.55 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 174.194 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -147.55 147.42 30.09 Favored 'General case' 0 N--CA 1.437 -1.078 0 N-CA-C 110.491 -0.189 . . . . 0.0 110.491 -174.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.665 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -96.77 114.97 26.65 Favored 'General case' 0 C--O 1.241 0.635 0 O-C-N 124.421 1.076 . . . . 0.0 109.808 177.551 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.577 HG12 ' HB2' ' A' ' 72' ' ' MET . 3.1 t -105.41 169.17 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.86 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -174.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -88.49 136.97 32.73 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 168.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -44.75 -49.49 10.57 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -172.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -73.67 2.63 7.74 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.695 -174.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.577 ' HB2' HG12 ' A' ' 68' ' ' VAL . 90.4 mmm -92.24 -18.61 23.18 Favored 'General case' 0 CA--C 1.516 -0.345 0 O-C-N 121.895 -0.503 . . . . 0.0 110.963 -179.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.433 HD21 HG22 ' A' ' 57' ' ' VAL . 3.6 pp -115.29 133.79 55.71 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.554 0.693 . . . . 0.0 110.898 -176.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.585 ' HG3' ' HH ' ' A' ' 14' ' ' TYR . 27.6 tt0 -120.06 108.13 13.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.255 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.593 HG22 HG12 ' A' ' 28' ' ' VAL . 12.4 pt -49.94 132.07 9.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 178.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 15.1 tp . . . . . 0 N--CA 1.443 -0.816 0 CA-C-N 114.55 -1.204 . . . . 0.0 108.015 175.513 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 84.0 t80 . . . . . 0 N--CA 1.446 -0.648 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.442 ' HB1' ' HB2' ' A' ' 70' ' ' TRP . . . -57.57 -33.02 67.73 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.919 176.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.1 tp -73.33 -41.06 63.94 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -59.21 -53.37 59.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.881 178.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.2 m -62.43 -37.96 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 O-C-N 123.826 0.704 . . . . 0.0 111.831 -179.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.436 ' HA ' ' CZ3' ' A' ' 70' ' ' TRP . 37.0 ttm180 -52.62 -51.79 58.41 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-O 121.107 0.48 . . . . 0.0 111.838 177.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -79.32 -26.7 42.14 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -174.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.9 p -82.36 -36.13 27.13 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -176.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.456 ' HG ' HG22 ' A' ' 75' ' ' ILE . 31.8 mt -82.59 103.5 12.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 122.478 1.132 . . . . 0.0 112.665 -179.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.739 ' N ' HE21 ' A' ' 23' ' ' GLN . 0.0 OUTLIER -89.81 156.87 46.96 Favored Pre-proline 0 N--CA 1.448 -0.537 0 CA-C-N 114.165 -1.38 . . . . 0.0 110.463 172.147 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.79 122.45 11.02 Favored 'Trans proline' 0 C--O 1.237 0.46 0 C-N-CA 122.113 1.875 . . . . 0.0 111.887 175.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.82 -11.03 49.29 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.127 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.477 ' SD ' ' HB2' ' A' ' 23' ' ' GLN . 88.8 mtp -84.12 138.62 32.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.287 0.565 . . . . 0.0 110.791 178.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 -82.29 149.01 28.02 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 122.196 0.998 . . . . 0.0 111.842 -175.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.9 m -131.05 158.4 43.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 114.321 -1.309 . . . . 0.0 111.054 -171.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.466 ' HB3' ' HB3' ' A' ' 74' ' ' GLU . 43.8 ttm180 -124.26 136.54 54.21 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.573 174.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.526 ' HG2' HG22 ' A' ' 37' ' ' ILE . 11.8 tpt -79.21 108.75 12.95 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.335 0.588 . . . . 0.0 110.161 177.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.508 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 25.2 tp -90.93 -6.54 53.96 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.06 -0.973 . . . . 0.0 111.618 -173.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.548 ' HB3' ' HB2' ' A' ' 72' ' ' MET . 14.8 t70 -138.38 150.61 46.71 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 -178.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.429 ' HA ' ' HA ' ' A' ' 38' ' ' SER . 5.9 p-10 -86.36 126.8 34.61 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 175.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -151.33 99.66 2.67 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.575 0.702 . . . . 0.0 110.561 -172.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 59.46 -112.07 0.57 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-N 114.83 -1.077 . . . . 0.0 111.816 175.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -72.08 -25.96 61.97 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 122.424 0.29 . . . . 0.0 111.648 -175.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.526 HG22 ' HG2' ' A' ' 30' ' ' MET . 16.7 mm -106.92 151.45 8.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -174.218 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 34.4 m -132.9 162.65 31.04 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -177.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.64 127.78 33.34 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 121.358 0.599 . . . . 0.0 111.245 -178.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.75 -17.7 38.56 Favored Glycine 0 N--CA 1.442 -0.941 0 CA-C-N 115.175 -0.92 . . . . 0.0 112.971 -178.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -64.31 139.85 58.81 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 172.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -128.17 155.31 44.67 Favored 'General case' 0 CA--C 1.513 -0.446 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.829 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.538 ' HA2' ' HG3' ' A' ' 60' ' ' GLU . . . -163.33 -168.52 25.43 Favored Glycine 0 N--CA 1.431 -1.659 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.551 -173.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -119.88 147.27 44.91 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 121.114 0.483 . . . . 0.0 109.765 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.804 ' HZ ' ' HB3' ' A' ' 48' ' ' SER . 47.4 t80 -86.26 114.13 22.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.595 -179.05 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.412 ' HB2' ' HG2' ' A' ' 56' ' ' GLN . 3.8 mmp_? -88.55 -57.81 2.78 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.914 0.388 . . . . 0.0 111.262 -177.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -153.59 155.44 36.12 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.517 0.675 . . . . 0.0 109.735 -174.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.804 ' HB3' ' HZ ' ' A' ' 45' ' ' PHE . 9.3 p . . . . . 0 N--CA 1.443 -0.807 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.219 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.527 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 4.5 Cg_endo . . . . . 0 CA--C 1.549 1.274 0 N-CA-C 116.543 1.709 . . . . 0.0 116.543 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 10.3 Cg_endo -55.72 126.34 22.11 Favored 'Trans proline' 0 C--N 1.367 1.543 0 C-N-CA 121.888 1.725 . . . . 0.0 113.728 -177.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.91 HG13 HD11 ' A' ' 73' ' ' LEU . 13.6 p -130.34 140.65 48.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.247 177.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.412 ' HG2' ' HB2' ' A' ' 46' ' ' ARG . 55.3 tt0 -93.47 107.46 19.3 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -177.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.1 t -123.24 132.82 70.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 121.306 0.574 . . . . 0.0 110.391 -178.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.442 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 89.6 t80 -90.65 112.77 24.63 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 175.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -91.04 118.38 30.35 Favored 'General case' 0 C--O 1.214 -0.783 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.238 -178.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.538 ' HG3' ' HA2' ' A' ' 43' ' ' GLY . 42.2 mt-10 -70.64 -35.9 73.15 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.059 -172.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.8 p -63.07 -39.24 94.14 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.116 0.484 . . . . 0.0 111.292 -178.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.4 m -86.75 -39.64 15.77 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-O 121.391 0.615 . . . . 0.0 109.828 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.27 25.32 16.75 Favored Glycine 0 N--CA 1.44 -1.045 0 CA-C-N 114.96 -1.018 . . . . 0.0 112.41 177.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 64' ' ' ARG . 7.0 ptp85 -151.48 165.25 34.77 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 122.348 -0.501 . . . . 0.0 109.886 -179.038 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.442 ' HA ' ' HA ' ' A' ' 58' ' ' PHE . 6.4 m -91.35 149.61 21.66 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.094 0.473 . . . . 0.0 110.631 -177.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -148.99 145.9 27.54 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.594 -177.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.571 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 20.5 m-90 -94.73 114.76 26.71 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.415 ' O ' HG12 ' A' ' 55' ' ' VAL . 2.7 t -110.39 175.99 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.223 -176.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.443 ' O ' ' HG2' ' A' ' 72' ' ' MET . 30.2 m170 -108.31 146.83 32.35 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 174.032 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.522 ' HD1' ' HA ' ' A' ' 53' ' ' PRO . 92.5 m95 -55.92 -40.74 73.53 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -173.013 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -68.39 -7.87 35.31 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 -170.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.548 ' HB2' ' HB3' ' A' ' 32' ' ' ASP . 16.4 ptp -114.9 16.07 17.27 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 120.873 0.368 . . . . 0.0 111.326 178.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.91 HD11 HG13 ' A' ' 55' ' ' VAL . 92.3 mt -101.22 128.67 47.23 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-O 121.092 0.472 . . . . 0.0 112.077 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.476 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . 8.5 tp10 -107.01 134.92 49.44 Favored 'General case' 0 N--CA 1.437 -1.115 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 173.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.456 HG22 ' HG ' ' A' ' 22' ' ' LEU . 25.9 pt -96.04 134.56 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.917 0 CA-C-O 121.464 0.649 . . . . 0.0 111.445 -173.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.0 mt . . . . . 0 C--N 1.314 -0.936 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.868 178.711 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 . . . . . 0 N--CA 1.451 -0.402 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.97 -32.24 69.47 Favored 'General case' 0 N--CA 1.453 -0.275 0 O-C-N 124.766 1.291 . . . . 0.0 111.926 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.9 tp -73.33 -42.96 61.68 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 121.842 0.83 . . . . 0.0 110.621 -177.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -64.07 -54.32 35.92 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 114.819 -1.082 . . . . 0.0 111.656 176.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.512 ' O ' ' HB3' ' A' ' 22' ' ' LEU . 35.0 m -60.97 -43.62 96.39 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.809 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.687 -176.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.499 ' HB2' ' CZ3' ' A' ' 70' ' ' TRP . 76.2 ttt180 -56.93 -30.45 64.01 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 118.46 0.573 . . . . 0.0 112.365 178.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -80.82 -53.23 6.66 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.4 -177.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.7 m -86.55 -38.86 16.76 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -172.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.851 HD13 HG12 ' A' ' 75' ' ' ILE . 58.1 tp -72.56 96.62 1.98 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.761 0.791 . . . . 0.0 110.656 -175.025 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -82.54 153.73 68.25 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.845 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -56.35 116.17 2.99 Favored 'Trans proline' 0 CA--C 1.532 0.385 0 C-N-CA 123.091 2.528 . . . . 0.0 111.396 173.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.08 -13.8 16.58 Favored Glycine 0 N--CA 1.439 -1.113 0 C-N-CA 120.881 -0.675 . . . . 0.0 111.783 -175.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.461 ' HB2' HD11 ' A' ' 22' ' ' LEU . 47.4 mtt -79.31 141.17 37.24 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.415 0.626 . . . . 0.0 110.318 176.238 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.494 ' O ' ' HB2' ' A' ' 76' ' ' LEU . 44.5 ttt180 -79.75 147.22 31.96 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.709 -178.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.5 m -129.03 157.07 41.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.986 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.403 ' HB2' HD21 ' A' ' 76' ' ' LEU . 39.5 ttm180 -126.68 132.47 51.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.157 -178.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.53 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 14.8 tpt -87.16 128.42 35.13 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.752 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.422 HD23 ' HG2' ' A' ' 74' ' ' GLU . 0.4 OUTLIER -115.18 14.57 16.99 Favored 'General case' 0 C--N 1.311 -1.074 0 C-N-CA 120.509 -0.476 . . . . 0.0 111.396 -179.854 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -140.1 156.28 46.64 Favored 'General case' 0 C--O 1.248 0.999 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.142 -178.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -95.51 123.42 39.04 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -159.2 102.71 1.61 Allowed 'General case' 0 C--O 1.235 0.338 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -175.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 73.53 -26.22 0.19 Allowed 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 159.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -175.53 -38.5 0.01 OUTLIER 'General case' 0 C--N 1.311 -1.093 0 CA-C-O 121.354 0.597 . . . . 0.0 109.699 -169.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.447 HG23 ' HG2' ' A' ' 30' ' ' MET . 15.9 mm -95.54 146.72 6.61 Favored 'Isoleucine or valine' 0 C--O 1.245 0.838 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.253 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.9 m -123.72 167.29 14.21 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.923 0.392 . . . . 0.0 110.308 -176.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.03 125.95 27.95 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.264 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.2 -16.49 42.04 Favored Glycine 0 C--O 1.225 -0.463 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.08 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -73.98 153.05 39.9 Favored 'General case' 0 C--O 1.213 -0.867 0 CA-C-O 121.209 0.528 . . . . 0.0 109.798 176.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.474 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 41.8 mt-10 -131.65 161.48 32.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.645 -177.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -162.68 -171.6 29.08 Favored Glycine 0 N--CA 1.453 -0.205 0 CA-C-N 114.854 -1.067 . . . . 0.0 111.528 178.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -116.02 142.12 47.21 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 117.004 0.402 . . . . 0.0 110.409 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -88.3 124.34 33.8 Favored 'General case' 0 C--N 1.315 -0.932 0 O-C-N 124.011 0.82 . . . . 0.0 110.635 -178.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -106.51 -55.05 2.38 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -148.21 152.8 37.84 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.423 -0.511 . . . . 0.0 112.076 -169.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.491 ' HB3' ' CH2' ' A' ' 70' ' ' TRP . 42.5 m . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.853 172.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo . . . . . 0 CA--C 1.538 0.683 0 N-CA-C 115.068 1.142 . . . . 0.0 115.068 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -54.7 130.49 40.63 Favored 'Trans proline' 0 CA--C 1.546 1.106 0 C-N-CA 121.932 1.754 . . . . 0.0 113.675 -178.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.589 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 14.9 p -130.65 136.84 57.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.053 -0.976 . . . . 0.0 108.968 173.294 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -98.0 109.35 22.12 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.569 0.7 . . . . 0.0 110.724 -171.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 96.9 t -121.05 138.68 50.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.428 -177.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -92.72 109.63 21.06 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 176.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.53 ' CH2' ' HB2' ' A' ' 30' ' ' MET . 99.8 m95 -89.37 117.28 28.19 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 -176.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 10.7 pt-20 -72.33 -19.62 61.62 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.003 -0.998 . . . . 0.0 110.015 -176.15 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.5 t -67.59 -45.77 74.53 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.47 178.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.5 m -93.85 -25.86 17.16 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.738 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.71 28.06 55.66 Favored Glycine 0 N--CA 1.437 -1.239 0 N-CA-C 111.975 -0.45 . . . . 0.0 111.975 -176.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -136.0 156.23 49.05 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.375 -0.413 . . . . 0.0 111.613 -175.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 p -83.49 136.06 34.43 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 121.435 0.636 . . . . 0.0 109.573 171.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.42 ' HB3' ' CD1' ' A' ' 59' ' ' TRP . 44.3 t80 -141.56 147.12 37.18 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.582 -175.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.589 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 32.6 m-90 -98.29 115.5 28.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 123.545 0.528 . . . . 0.0 110.288 176.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.509 ' O ' HG11 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -114.48 -178.41 1.07 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.701 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -177.743 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.66 ' O ' ' HG2' ' A' ' 72' ' ' MET . 27.8 m170 -98.43 136.43 38.58 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 120.27 -0.572 . . . . 0.0 109.981 172.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.499 ' CZ3' ' HB2' ' A' ' 19' ' ' ARG . 25.9 m95 -45.25 -51.85 10.29 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.384 0.674 . . . . 0.0 112.57 178.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 27.7 p80 -72.27 -6.21 41.44 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -170.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.66 ' HG2' ' O ' ' A' ' 69' ' ' HIS . 15.5 ptm -107.71 19.45 20.12 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 121.623 -0.673 . . . . 0.0 110.99 -176.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 70' ' ' TRP . 4.2 pp -136.29 154.76 50.79 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 120.437 -0.505 . . . . 0.0 111.332 178.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.422 ' HG2' HD23 ' A' ' 31' ' ' LEU . 4.5 mm-40 -101.66 140.33 36.09 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.953 178.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.851 HG12 HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -94.77 121.12 45.08 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 CA-C-O 122.074 0.94 . . . . 0.0 109.925 178.793 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.494 ' HB2' ' O ' ' A' ' 27' ' ' ARG . 4.4 mm? . . . . . 0 CA--C 1.515 -0.382 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.241 177.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.458 ' OH ' HD11 ' A' ' 31' ' ' LEU . 36.5 t80 . . . . . 0 C--O 1.245 0.816 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.713 ' O ' ' HG3' ' A' ' 19' ' ' ARG . . . -55.0 -38.96 68.55 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.852 0.72 . . . . 0.0 112.059 175.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.4 tp -66.76 -46.3 75.83 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 121.61 0.719 . . . . 0.0 110.595 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -58.76 -53.94 52.65 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.702 -1.135 . . . . 0.0 110.733 -178.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.0 m -60.75 -42.27 91.52 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 CA-C-N 115.756 -0.657 . . . . 0.0 112.378 -174.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.713 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 47.9 mtm180 -55.35 -41.68 72.83 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 121.266 0.555 . . . . 0.0 111.836 179.2 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -83.57 -45.11 13.9 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.57 -175.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.3 m -81.32 -33.56 32.43 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -172.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.804 HD12 HG13 ' A' ' 28' ' ' VAL . 2.3 tt -95.26 95.46 8.52 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.612 0.72 . . . . 0.0 109.457 -175.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -91.72 158.3 40.39 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.559 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -51.06 123.22 11.4 Favored 'Trans proline' 0 C--O 1.24 0.614 0 C-N-CA 123.0 2.466 . . . . 0.0 111.57 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.79 -27.1 8.06 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.129 -176.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.474 ' HB2' HD22 ' A' ' 22' ' ' LEU . 16.3 mmt -73.21 137.79 45.23 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 178.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.543 ' HG3' ' O ' ' A' ' 43' ' ' GLY . 36.1 ttm180 -75.37 147.53 39.96 Favored 'General case' 0 C--O 1.242 0.696 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.861 173.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.804 HG13 HD12 ' A' ' 22' ' ' LEU . 20.9 m -122.79 156.18 28.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 O-C-N 123.424 0.452 . . . . 0.0 110.155 -176.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -126.31 139.88 52.96 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.334 0.588 . . . . 0.0 110.09 170.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.436 ' HE1' ' SD ' ' A' ' 72' ' ' MET . 12.9 tpt -84.95 122.83 29.76 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.053 -177.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.763 HD22 ' HB2' ' A' ' 74' ' ' GLU . 75.9 mt -79.32 -39.47 32.73 Favored 'General case' 0 C--O 1.243 0.712 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -175.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -129.36 159.85 34.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.51 -173.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.422 ' HA ' ' HA ' ' A' ' 38' ' ' SER . 12.0 m-20 -78.78 125.24 29.1 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -151.05 100.87 2.83 Favored 'General case' 0 C--N 1.311 -1.068 0 C-N-CA 119.722 -0.791 . . . . 0.0 112.317 -169.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 69.27 -26.11 0.15 Allowed 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 163.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -167.48 -40.13 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.449 0.642 . . . . 0.0 109.856 -169.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 29.5 mm -101.66 153.17 5.13 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.206 0 CA-C-N 113.908 -1.496 . . . . 0.0 108.534 -175.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.422 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 0.4 OUTLIER -121.07 164.36 16.92 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.298 -177.328 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.93 130.37 44.47 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.92 -17.15 42.2 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 120.238 -0.982 . . . . 0.0 112.505 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -71.96 155.25 40.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.499 0.666 . . . . 0.0 110.391 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -137.36 160.05 40.2 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.348 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.543 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -162.27 -170.72 27.45 Favored Glycine 0 N--CA 1.443 -0.877 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.382 -177.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -119.88 140.85 50.2 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 117.697 0.749 . . . . 0.0 109.925 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.465 ' CD2' HD23 ' A' ' 22' ' ' LEU . 5.8 t80 -86.62 121.81 29.65 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -175.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 42.2 mtp85 -104.92 -57.07 2.08 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 120.416 -0.514 . . . . 0.0 111.462 -178.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -147.41 150.03 33.88 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.452 0.644 . . . . 0.0 111.237 -168.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 53.0 p . . . . . 0 C--N 1.316 -0.883 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 171.175 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.656 ' HA ' ' HD1' ' A' ' 70' ' ' TRP . 3.7 Cg_exo . . . . . 0 CA--C 1.548 1.18 0 N-CA-C 115.707 1.387 . . . . 0.0 115.707 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 15.4 Cg_endo -60.3 126.88 21.25 Favored 'Trans proline' 0 C--N 1.361 1.207 0 C-N-CA 121.592 1.528 . . . . 0.0 113.045 177.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.611 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 7.6 p -130.64 141.05 47.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.936 -176.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.537 ' OE1' ' HB ' ' A' ' 65' ' ' THR . 6.1 tp-100 -95.91 107.98 20.3 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 120.934 0.397 . . . . 0.0 110.089 -177.051 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.1 t -121.37 133.22 68.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.908 -177.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -89.26 118.14 28.74 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 174.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -91.07 112.77 24.81 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.306 -176.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.41 ' HG3' ' HA2' ' A' ' 43' ' ' GLY . 34.5 mt-10 -68.7 -36.99 79.19 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.336 0.588 . . . . 0.0 110.735 -176.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.5 t -61.43 -39.32 90.38 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.658 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.9 m -90.07 -54.58 3.97 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 121.239 0.543 . . . . 0.0 111.517 -178.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.37 20.83 6.82 Favored Glycine 0 N--CA 1.441 -1.007 0 CA-C-N 115.195 -0.912 . . . . 0.0 112.265 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -141.66 160.96 39.09 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.36 0.6 . . . . 0.0 110.299 -178.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.537 ' HB ' ' OE1' ' A' ' 56' ' ' GLN . 12.3 p -86.56 156.59 20.0 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.196 171.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -159.12 146.47 17.35 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.611 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 13.3 m-90 -89.5 114.61 26.15 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 177.156 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.4 t -111.87 -155.02 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.966 -174.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 22.3 m80 -138.8 135.33 34.51 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 -172.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.656 ' HD1' ' HA ' ' A' ' 53' ' ' PRO . 96.9 m95 -51.54 -48.67 62.96 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -179.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -70.89 -0.04 8.32 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -171.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.436 ' SD ' ' HE1' ' A' ' 30' ' ' MET . 16.5 ptp -122.31 14.61 10.46 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.079 0.854 . . . . 0.0 112.925 179.169 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.0 mt -112.3 134.67 53.71 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-O 120.617 0.246 . . . . 0.0 110.612 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.763 ' HB2' HD22 ' A' ' 31' ' ' LEU . 77.7 tt0 -94.12 130.43 40.31 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 176.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.489 HG12 ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -78.6 118.16 25.33 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 CA-C-O 121.486 0.66 . . . . 0.0 109.427 176.585 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 24.1 tp . . . . . 0 C--N 1.311 -1.09 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.404 -179.822 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.473 ' CD2' ' HA ' ' A' ' 71' ' ' HIS . 61.5 t80 . . . . . 0 N--CA 1.444 -0.734 0 N-CA-C 110.11 -0.329 . . . . 0.0 110.11 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.67 -32.75 69.4 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.99 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.0 tp -73.59 -46.25 48.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.634 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -59.29 -53.05 62.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.774 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.5 m -61.59 -40.35 86.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.56 177.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.6 ttt180 -57.76 -47.16 83.27 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.387 0.613 . . . . 0.0 111.945 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -74.73 -20.47 59.82 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.252 -0.885 . . . . 0.0 112.18 -175.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 m -99.78 -29.6 12.53 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.63 0.729 . . . . 0.0 111.468 -176.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.435 HD13 HG13 ' A' ' 75' ' ' ILE . 32.6 tp -79.03 105.86 10.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.547 -176.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -86.14 151.07 53.69 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.195 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -55.68 126.26 21.87 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 122.752 2.301 . . . . 0.0 111.522 176.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.78 -17.67 38.52 Favored Glycine 0 C--N 1.314 -0.693 0 O-C-N 124.063 0.852 . . . . 0.0 112.613 -177.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 41.9 mtt -71.04 144.95 50.21 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.077 0.465 . . . . 0.0 111.096 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -83.79 143.02 30.24 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.081 176.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.3 m -126.98 158.91 37.63 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.729 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -129.47 136.87 50.43 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-O 121.068 0.461 . . . . 0.0 112.094 173.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.447 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . 10.3 tpt -71.74 130.97 42.42 Favored 'General case' 0 CA--C 1.5 -0.967 0 CA-C-N 115.006 -0.997 . . . . 0.0 108.994 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.7 tp -113.37 -20.98 11.13 Favored 'General case' 0 N--CA 1.435 -1.186 0 O-C-N 124.341 1.026 . . . . 0.0 109.978 -171.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.513 ' HB3' ' HB2' ' A' ' 72' ' ' MET . 27.8 t70 -114.16 150.04 34.79 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.052 178.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -95.19 144.15 26.03 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.164 0.507 . . . . 0.0 110.396 -177.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -158.67 155.5 28.25 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.31 -174.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -48.17 -42.42 29.62 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.455 ' HG3' ' CE1' ' A' ' 66' ' ' TYR . 39.0 mm-40 -77.07 -62.15 1.75 Allowed 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 120.861 0.362 . . . . 0.0 111.549 -178.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 32.4 mm -116.78 149.96 18.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.45 -175.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.6 m -122.75 151.54 41.5 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -172.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.17 135.47 57.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.091 0.472 . . . . 0.0 110.745 -176.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.16 -18.51 45.56 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.388 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -68.67 139.25 55.43 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 177.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.661 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 48.1 mt-10 -112.43 148.28 34.69 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.177 -178.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -152.28 176.87 30.37 Favored Glycine 0 CA--C 1.495 -1.193 0 C-N-CA 119.694 -1.241 . . . . 0.0 112.59 -177.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -108.26 143.32 37.26 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -89.72 115.27 26.95 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 175.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -100.12 -53.8 3.05 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 123.718 0.636 . . . . 0.0 110.684 -176.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.486 ' O ' ' HB3' ' A' ' 56' ' ' GLN . 5.0 pp0? -170.99 165.14 7.6 Favored 'General case' 0 C--N 1.316 -0.882 0 O-C-N 124.382 1.051 . . . . 0.0 109.397 -178.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.543 ' OG ' HG23 ' A' ' 55' ' ' VAL . 53.0 m . . . . . 0 CA--C 1.508 -0.645 0 O-C-N 121.356 -0.84 . . . . 0.0 111.615 178.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.475 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 6.4 Cg_endo . . . . . 0 N--CA 1.479 0.655 0 N-CA-C 117.119 1.93 . . . . 0.0 117.119 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 12.4 Cg_endo -55.42 116.4 3.12 Favored 'Trans proline' 0 C--N 1.367 1.52 0 C-N-CA 121.779 1.653 . . . . 0.0 113.643 -176.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.543 HG23 ' OG ' ' A' ' 48' ' ' SER . 7.7 p -119.57 128.28 75.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.693 174.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.486 ' HB3' ' O ' ' A' ' 47' ' ' GLN . 6.4 tp60 -95.02 110.63 22.52 Favored 'General case' 0 C--O 1.24 0.565 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -176.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.6 t -123.74 140.93 45.73 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.11 -173.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -94.87 110.39 22.28 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 174.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.447 ' CZ3' ' HB2' ' A' ' 30' ' ' MET . 89.4 m95 -94.71 125.65 39.51 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.777 -175.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.661 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 11.7 pt-20 -71.14 -44.13 66.17 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -171.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.5 m -63.76 -41.52 97.98 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.836 0.827 . . . . 0.0 111.349 -175.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.8 m -81.84 -23.04 36.65 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 122.24 1.019 . . . . 0.0 109.853 176.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 61.27 33.93 86.27 Favored Glycine 0 CA--C 1.51 -0.276 0 CA-C-N 114.898 -1.046 . . . . 0.0 111.729 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.8 mtp85 -139.02 151.44 46.81 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 123.541 0.736 . . . . 0.0 111.194 -177.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.7 p -84.27 144.47 28.88 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.612 0.72 . . . . 0.0 110.134 171.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.455 ' CE1' ' HG3' ' A' ' 36' ' ' GLU . 59.2 t80 -152.36 144.46 23.84 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -177.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.47 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 13.3 m-90 -90.91 114.5 26.98 Favored 'General case' 0 C--O 1.242 0.681 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 177.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -111.47 179.69 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.209 -176.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.612 ' O ' ' HG2' ' A' ' 72' ' ' MET . 17.4 m-70 -102.63 136.27 42.76 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 121.461 -0.775 . . . . 0.0 109.663 173.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.429 ' HD1' ' HA ' ' A' ' 53' ' ' PRO . 94.7 m95 -51.1 -38.21 50.42 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -176.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.473 ' HA ' ' CD2' ' A' ' 14' ' ' TYR . 27.1 p80 -67.91 -14.97 63.39 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -170.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.612 ' HG2' ' O ' ' A' ' 69' ' ' HIS . 9.9 ptm -107.64 13.46 26.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 121.817 -0.552 . . . . 0.0 111.379 -175.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.8 mp -114.33 137.65 51.54 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.199 0.523 . . . . 0.0 110.866 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -96.96 130.73 44.24 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 174.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.435 HG13 HD13 ' A' ' 22' ' ' LEU . 10.5 tt -89.22 126.48 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.345 -175.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 63.2 mt . . . . . 0 N--CA 1.444 -0.733 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.742 179.826 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.697 ' HH ' ' HA ' ' A' ' 74' ' ' GLU . 81.7 t80 . . . . . 0 N--CA 1.463 0.177 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.501 ' HB3' ' HB2' ' A' ' 70' ' ' TRP . . . -60.3 -31.43 70.25 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.871 175.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.5 tp -70.77 -36.23 72.97 Favored 'General case' 0 N--CA 1.434 -1.244 0 CA-C-O 121.447 0.641 . . . . 0.0 110.157 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -64.86 -52.19 57.98 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.596 -1.184 . . . . 0.0 110.859 178.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.3 m -63.52 -34.21 66.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.488 ' HA ' ' CZ3' ' A' ' 70' ' ' TRP . 0.2 OUTLIER -54.13 -43.93 70.9 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.84 0.352 . . . . 0.0 110.196 173.456 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -77.56 -55.25 5.52 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.482 -175.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.4 m -89.36 -33.47 16.87 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -167.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.694 HD13 HG12 ' A' ' 28' ' ' VAL . 2.2 tt -79.34 98.4 6.69 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -176.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -93.76 162.63 26.67 Favored Pre-proline 0 N--CA 1.445 -0.684 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.078 -176.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.29 121.67 10.34 Favored 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 123.399 2.733 . . . . 0.0 111.621 174.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.29 -26.01 8.93 Favored Glycine 0 N--CA 1.439 -1.118 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -176.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 39.8 mtt -77.89 134.75 37.86 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.217 0.532 . . . . 0.0 111.1 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.589 ' HG3' ' O ' ' A' ' 43' ' ' GLY . 38.1 ttm180 -67.94 148.43 51.1 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.627 176.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.694 HG12 HD13 ' A' ' 22' ' ' LEU . 27.1 m -126.22 154.0 35.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.713 -178.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.729 ' HB3' ' HB3' ' A' ' 74' ' ' GLU . 43.4 ttm180 -120.39 124.59 45.88 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.985 177.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.539 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 12.3 tpt -78.03 119.16 21.08 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.258 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.685 HD13 ' HB2' ' A' ' 74' ' ' GLU . 93.0 mt -101.03 16.76 24.3 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 -175.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -161.55 151.58 17.07 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 121.731 -0.605 . . . . 0.0 110.735 -176.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.527 ' HA ' ' HA ' ' A' ' 38' ' ' SER . 12.0 t70 -89.9 126.43 35.71 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 176.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -153.49 103.75 2.68 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -170.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 69.99 -15.18 0.34 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.314 1.446 . . . . 0.0 114.297 166.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.532 ' HG3' HG12 ' A' ' 37' ' ' ILE . 9.8 pt-20 172.8 -31.38 0.0 OUTLIER 'General case' 0 C--O 1.24 0.594 0 CA-C-O 121.435 0.636 . . . . 0.0 110.655 -175.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.532 HG12 ' HG3' ' A' ' 36' ' ' GLU . 36.1 mm -95.48 151.76 3.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 -179.214 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.527 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 47.2 p -124.65 167.79 14.05 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 118.673 0.67 . . . . 0.0 110.609 -175.478 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.09 128.19 35.11 Favored 'General case' 0 N--CA 1.427 -1.58 0 CA-C-O 121.473 0.654 . . . . 0.0 109.384 178.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.72 -13.6 46.23 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.894 -177.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -66.48 130.31 42.77 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 172.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -116.39 147.82 41.27 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.634 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.589 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -154.33 -170.42 20.18 Favored Glycine 0 C--N 1.308 -0.982 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.959 -171.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -125.73 147.82 49.25 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 117.551 0.676 . . . . 0.0 109.824 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -94.07 121.75 35.87 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -175.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.416 ' HB2' ' OE1' ' A' ' 47' ' ' GLN . 20.8 mtm180 -108.61 -47.61 3.46 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.202 -0.599 . . . . 0.0 112.413 -175.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.578 ' HG2' ' HB3' ' A' ' 56' ' ' GLN . 0.5 OUTLIER -157.21 160.45 38.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.994 0.426 . . . . 0.0 111.613 -174.636 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.32 -0.698 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.947 175.548 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.45 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 33.9 Cg_exo . . . . . 0 CA--C 1.536 0.581 0 N-CA-C 114.273 0.836 . . . . 0.0 114.273 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 10.5 Cg_endo -54.62 115.22 2.25 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 122.093 1.862 . . . . 0.0 113.54 -176.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.715 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 11.7 p -129.57 139.57 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.953 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.658 177.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.578 ' HB3' ' HG2' ' A' ' 47' ' ' GLN . 18.9 tp60 -96.36 109.23 21.79 Favored 'General case' 0 C--O 1.254 1.302 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.332 -175.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.49 HG21 HD21 ' A' ' 73' ' ' LEU . 96.3 t -118.77 136.11 57.03 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 -178.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -95.21 115.5 27.51 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 175.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.539 ' CH2' ' HB2' ' A' ' 30' ' ' MET . 95.2 m95 -87.1 113.29 22.71 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -177.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.525 ' HG3' ' HA2' ' A' ' 43' ' ' GLY . 41.9 mt-10 -70.2 -38.34 75.28 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.356 0.598 . . . . 0.0 110.609 -172.327 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.7 p -66.03 -35.07 79.55 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.544 -178.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.69 -53.36 4.45 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 121.471 0.653 . . . . 0.0 110.465 179.389 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.41 16.05 12.78 Favored Glycine 0 N--CA 1.438 -1.173 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.457 179.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.6 mtm-85 -130.37 154.49 47.63 Favored 'General case' 0 CA--C 1.515 -0.367 0 O-C-N 122.524 -0.398 . . . . 0.0 110.612 -178.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.426 ' HB ' ' NE2' ' A' ' 56' ' ' GLN . 6.5 p -87.11 149.06 24.94 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 121.767 0.794 . . . . 0.0 110.83 171.176 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -150.68 145.44 25.83 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.492 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.715 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 4.7 m-90 -88.95 114.82 25.99 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 174.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.481 ' O ' HG11 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -112.2 178.21 1.4 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.123 -175.131 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.539 ' HB2' ' SD ' ' A' ' 72' ' ' MET . 38.0 m170 -103.69 135.93 44.33 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.449 174.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.501 ' HB2' ' HB3' ' A' ' 15' ' ' ALA . 63.7 m95 -49.46 -44.77 45.96 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -174.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -65.84 -9.04 25.35 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -172.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.539 ' SD ' ' HB2' ' A' ' 69' ' ' HIS . 2.9 ptm -109.66 9.36 25.03 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.561 0.696 . . . . 0.0 111.585 -177.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.49 HD21 HG21 ' A' ' 57' ' ' VAL . 10.8 mp -108.93 135.98 49.22 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.889 178.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.729 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . 30.6 tt0 -103.47 141.56 35.77 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 173.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.568 HG13 ' HG ' ' A' ' 22' ' ' LEU . 6.8 tt -91.21 131.02 39.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 120.981 0.42 . . . . 0.0 111.814 -174.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.54 HD12 ' HB2' ' A' ' 29' ' ' ARG . 8.6 mp . . . . . 0 C--N 1.323 -0.569 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 176.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.466 ' O ' HG11 ' A' ' 18' ' ' VAL . 65.5 t80 . . . . . 0 C--O 1.23 0.077 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.96 -32.49 61.55 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 111.323 173.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.2 tp -73.26 -41.91 63.13 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.071 177.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -61.13 -49.06 78.78 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.632 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.566 HG22 ' CG2' ' A' ' 75' ' ' ILE . 2.5 p -62.21 -42.67 96.11 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.205 178.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.565 ' HD3' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -65.67 -37.08 85.5 Favored 'General case' 0 C--O 1.246 0.904 0 CA-C-O 120.566 0.222 . . . . 0.0 110.428 177.61 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -70.3 -28.5 65.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.134 0.492 . . . . 0.0 111.478 -178.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.2 m -90.32 -39.96 12.4 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.567 -176.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.47 HD21 ' HA ' ' A' ' 22' ' ' LEU . 16.8 mt -69.84 103.59 2.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 122.49 1.138 . . . . 0.0 112.249 -175.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.416 HE21 ' HB3' ' A' ' 23' ' ' GLN . 13.4 mm100 -79.75 142.92 57.5 Favored Pre-proline 0 N--CA 1.44 -0.948 0 CA-C-N 114.408 -1.269 . . . . 0.0 109.864 171.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -50.58 107.92 0.19 Allowed 'Trans proline' 0 C--O 1.238 0.525 0 C-N-CA 123.313 2.675 . . . . 0.0 112.132 175.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.42 -16.11 9.85 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.142 -175.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 46.9 mtt -68.77 143.17 54.73 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 120.725 0.297 . . . . 0.0 111.462 177.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.698 ' HG3' ' O ' ' A' ' 43' ' ' GLY . 10.2 ttm180 -85.05 148.03 26.36 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.277 0.56 . . . . 0.0 110.561 -178.328 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.7 m -129.1 155.15 40.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.977 0.894 . . . . 0.0 110.548 -176.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.448 ' HB3' ' HB3' ' A' ' 74' ' ' GLU . 51.4 ttt-85 -121.1 137.45 54.66 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.449 176.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.523 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . 12.7 tpt -85.52 118.48 25.07 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 123.067 0.547 . . . . 0.0 110.03 -179.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.51 HD13 ' HB2' ' A' ' 74' ' ' GLU . 89.7 mt -93.22 -18.12 22.88 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -177.101 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -122.09 153.83 38.16 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.543 -0.169 . . . . 0.0 110.543 -171.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -100.39 121.8 42.1 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 175.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -160.95 108.51 1.52 Allowed 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 113.086 0.772 . . . . 0.0 113.086 -167.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 67.44 -23.72 0.12 Allowed 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 163.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -169.07 -47.23 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 122.521 1.153 . . . . 0.0 110.053 -168.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.485 ' HB ' ' HE2' ' A' ' 30' ' ' MET . 20.5 mm -99.34 151.42 4.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.801 -175.502 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.8 m -114.9 159.72 20.36 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -175.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.56 132.07 45.66 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.81 -11.14 52.95 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.212 -177.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -70.13 150.92 46.03 Favored 'General case' 0 N--CA 1.442 -0.871 0 O-C-N 121.729 -0.865 . . . . 0.0 111.357 175.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -123.11 143.9 49.68 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -177.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.698 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -149.9 -177.05 23.57 Favored Glycine 0 C--N 1.311 -0.853 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 -176.187 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -130.5 145.68 51.9 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 117.199 0.499 . . . . 0.0 109.866 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -87.32 118.48 26.78 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 120.843 0.354 . . . . 0.0 110.55 -175.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.9 mtp180 -91.27 -56.67 3.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.014 177.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 178.86 170.77 0.86 Allowed 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.754 -176.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.7 p . . . . . 0 C--N 1.314 -0.937 0 O-C-N 123.506 0.504 . . . . 0.0 110.613 178.684 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.666 ' HA ' ' HD1' ' A' ' 70' ' ' TRP . 6.8 Cg_exo . . . . . 0 CA--C 1.56 1.778 0 N-CA-C 115.278 1.222 . . . . 0.0 115.278 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -58.57 105.47 0.22 Allowed 'Trans proline' 0 C--N 1.365 1.428 0 C-N-CA 121.877 1.718 . . . . 0.0 112.569 175.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.562 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 6.9 p -122.04 136.42 58.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.098 -174.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -101.09 112.06 24.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.529 0.68 . . . . 0.0 110.463 -176.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.1 t -121.73 133.37 68.38 Favored 'Isoleucine or valine' 0 C--O 1.248 1.02 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.731 -176.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -97.59 129.98 44.66 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 174.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.523 ' CZ3' ' HB2' ' A' ' 30' ' ' MET . 95.1 m95 -98.61 120.72 39.52 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.682 -0.235 . . . . 0.0 110.912 -172.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -61.0 -52.48 64.83 Favored 'General case' 0 C--N 1.313 -1.018 0 C-N-CA 123.422 0.689 . . . . 0.0 111.452 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.0 p -64.23 -38.16 90.06 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.328 -0.851 . . . . 0.0 112.77 -176.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.5 m -88.24 -54.87 3.99 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 121.275 0.56 . . . . 0.0 111.051 -177.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.93 20.74 12.12 Favored Glycine 0 C--N 1.322 -0.199 0 CA-C-O 121.827 0.682 . . . . 0.0 112.463 176.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -131.86 144.27 50.76 Favored 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 122.336 -0.508 . . . . 0.0 109.704 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -80.38 142.3 34.53 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 110.474 -0.195 . . . . 0.0 110.474 175.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -148.94 147.24 28.4 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 123.318 0.386 . . . . 0.0 110.762 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.562 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 10.6 m0 -89.17 114.47 25.77 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 174.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -106.47 -156.7 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.366 -173.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.819 ' HB2' ' SD ' ' A' ' 72' ' ' MET . 52.6 m80 -138.75 132.71 31.15 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 -173.013 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.666 ' HD1' ' HA ' ' A' ' 53' ' ' PRO . 98.5 m95 -57.8 -39.01 76.54 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -174.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.447 ' HD2' ' HB3' ' A' ' 69' ' ' HIS . 3.1 p80 -62.77 -19.33 63.89 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -175.103 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.819 ' SD ' ' HB2' ' A' ' 69' ' ' HIS . 5.9 ptm -109.7 6.62 23.84 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-O 121.333 0.587 . . . . 0.0 112.21 -173.31 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.4 mt -103.22 130.71 50.52 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.086 -178.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.51 ' HB2' HD13 ' A' ' 31' ' ' LEU . 37.0 tt0 -101.2 131.74 47.04 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 175.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.566 ' CG2' HG22 ' A' ' 18' ' ' VAL . 39.5 pt -88.29 124.56 41.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 C-N-CA 119.909 -0.716 . . . . 0.0 111.297 -173.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.7 mt . . . . . 0 C--N 1.314 -0.962 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 176.379 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.0 t80 . . . . . 0 N--CA 1.438 -1.048 0 CA-C-O 120.991 0.424 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.501 ' HB3' ' HA ' ' A' ' 71' ' ' HIS . . . -63.35 -31.27 72.38 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 123.079 0.552 . . . . 0.0 110.694 178.447 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.7 tp -69.23 -43.27 74.36 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -59.99 -54.1 50.03 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.453 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.599 HG11 HG22 ' A' ' 75' ' ' ILE . 35.9 m -67.4 -49.4 71.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -178.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.412 ' N ' HG21 ' A' ' 18' ' ' VAL . 57.6 ttt180 -57.96 -37.77 74.78 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -175.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -72.99 -33.23 65.68 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-O 120.71 0.291 . . . . 0.0 111.575 -178.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.4 m -100.51 -24.17 14.53 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -169.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.4 tp -65.55 103.91 0.92 Allowed 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.093 0.473 . . . . 0.0 110.939 -174.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -94.41 148.36 34.87 Favored Pre-proline 0 N--CA 1.445 -0.697 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.35 176.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -52.0 115.41 2.13 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 123.059 2.506 . . . . 0.0 111.252 174.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.6 -8.23 19.88 Favored Glycine 0 C--N 1.334 0.427 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -178.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 61.4 mtt -84.42 136.08 34.0 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.478 0.656 . . . . 0.0 111.16 174.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.7 mtt180 -68.89 160.55 30.48 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 122.114 0.959 . . . . 0.0 110.813 174.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.405 HG21 HG11 ' A' ' 57' ' ' VAL . 24.2 m -134.66 150.97 30.76 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.155 0 CA-C-N 114.787 -1.097 . . . . 0.0 109.835 177.159 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.465 ' HB3' ' HB3' ' A' ' 74' ' ' GLU . 40.4 ttt180 -124.66 127.48 47.38 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.945 177.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.653 ' HE3' ' SD ' ' A' ' 72' ' ' MET . 13.4 tpt -77.93 122.45 25.52 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.453 HD13 ' HB2' ' A' ' 74' ' ' GLU . 83.2 mt -110.12 -4.17 15.97 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-O 121.268 0.556 . . . . 0.0 112.197 -178.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -121.9 -176.74 3.4 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.853 -177.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -121.02 121.62 38.35 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.327 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -150.7 104.52 3.2 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.318 0.58 . . . . 0.0 111.425 -175.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 55.84 -112.25 0.69 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.363 174.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -81.51 -14.74 56.59 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.762 -175.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.518 HG22 ' HG2' ' A' ' 30' ' ' MET . 10.5 mm -104.33 149.79 7.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.2 t -143.5 169.48 17.62 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 -177.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.37 131.36 50.54 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 121.349 0.595 . . . . 0.0 112.254 -173.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.93 -16.23 43.32 Favored Glycine 0 C--N 1.313 -0.727 0 CA-C-N 114.929 -1.032 . . . . 0.0 112.712 174.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -66.51 148.11 52.34 Favored 'General case' 0 C--O 1.248 0.985 0 CA-C-N 117.127 0.463 . . . . 0.0 110.145 178.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -127.58 147.91 50.35 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 120.9 0.381 . . . . 0.0 110.328 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -148.42 174.55 28.06 Favored Glycine 0 N--CA 1.433 -1.508 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.879 -177.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -105.41 140.29 38.74 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 177.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.524 ' HE1' ' HB3' ' A' ' 48' ' ' SER . 68.9 t80 -95.87 117.49 30.68 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 122.054 -0.404 . . . . 0.0 110.396 -178.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -105.98 -47.14 3.93 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.977 -176.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -158.84 156.62 29.99 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.489 -178.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.532 ' HB3' HG21 ' A' ' 55' ' ' VAL . 72.4 p . . . . . 0 C--N 1.312 -1.033 0 O-C-N 122.051 -0.405 . . . . 0.0 110.781 177.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.561 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 51.0 Cg_exo . . . . . 0 CA--C 1.545 1.058 0 N-CA-C 116.489 1.688 . . . . 0.0 116.489 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 9.6 Cg_endo -53.91 130.85 41.3 Favored 'Trans proline' 0 C--N 1.368 1.576 0 C-N-CA 122.609 2.206 . . . . 0.0 113.562 -177.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.568 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 6.4 p -127.94 137.59 57.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 114.338 -1.301 . . . . 0.0 109.456 178.355 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -94.74 108.22 20.22 Favored 'General case' 0 N--CA 1.441 -0.893 0 O-C-N 121.599 -0.688 . . . . 0.0 110.43 -174.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.405 HG11 HG21 ' A' ' 28' ' ' VAL . 92.1 t -121.53 137.21 55.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.04 -177.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.4 ' HD2' HG23 ' A' ' 65' ' ' THR . 41.7 t80 -92.54 109.88 21.29 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 173.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.427 ' CH2' ' HB2' ' A' ' 30' ' ' MET . 99.2 m95 -80.38 114.0 18.96 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.473 -176.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -58.99 -47.17 86.16 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.021 0.825 . . . . 0.0 110.558 -177.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 m -57.23 -40.43 77.55 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.876 -176.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.8 m -87.83 -46.22 9.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.869 0.842 . . . . 0.0 111.515 -177.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.19 20.05 24.26 Favored Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.814 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 64' ' ' ARG . 4.8 mpt_? -135.37 160.94 36.86 Favored 'General case' 0 C--O 1.238 0.481 0 O-C-N 121.969 -0.724 . . . . 0.0 110.605 -179.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.4 HG23 ' HD2' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -88.8 144.11 26.45 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.302 0.572 . . . . 0.0 110.36 173.75 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -149.53 145.1 26.67 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.142 -173.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.568 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 16.9 m-90 -92.41 116.17 28.74 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 177.067 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.478 ' O ' HG12 ' A' ' 55' ' ' VAL . 2.0 t -111.29 175.34 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.672 -179.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.596 ' O ' ' HG2' ' A' ' 72' ' ' MET . 34.9 m-70 -100.02 137.59 38.26 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.849 -0.532 . . . . 0.0 110.139 173.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -47.26 -48.81 24.5 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -178.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.501 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 23.8 p80 -65.21 -4.79 5.57 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 -169.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.653 ' SD ' ' HE3' ' A' ' 30' ' ' MET . 17.1 ptp -113.56 5.7 16.71 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 118.645 0.657 . . . . 0.0 112.242 -178.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 91.4 mt -111.55 141.03 45.65 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.582 0.706 . . . . 0.0 111.514 -177.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.465 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . 40.1 tt0 -102.41 139.87 37.44 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.223 174.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.599 HG22 HG11 ' A' ' 18' ' ' VAL . 5.6 tt -81.75 122.05 36.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 179.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.1 tt . . . . . 0 C--N 1.311 -1.096 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.758 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.2 t80 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.568 ' O ' ' HG3' ' A' ' 19' ' ' ARG . . . -59.49 -28.99 67.52 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.214 0.531 . . . . 0.0 111.609 177.155 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.4 tp -73.18 -43.62 61.13 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.941 0.877 . . . . 0.0 109.62 175.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -59.97 -44.61 94.35 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.38 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.444 HG23 ' HA ' ' A' ' 15' ' ' ALA . 32.9 m -61.93 -44.05 98.35 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.935 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.568 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 69.9 mtp180 -62.19 -30.29 70.97 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.042 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -63.34 -52.66 60.89 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.018 -177.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.482 ' HB ' HD12 ' A' ' 75' ' ' ILE . 9.1 m -92.58 -33.02 14.6 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.891 -174.123 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.539 HD21 ' CG ' ' A' ' 26' ' ' MET . 0.3 OUTLIER -78.71 100.49 7.09 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 121.288 0.566 . . . . 0.0 110.6 -175.235 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.429 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 13.2 pt20 -104.3 169.37 7.32 Favored Pre-proline 0 C--N 1.313 -0.996 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.775 178.392 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.429 ' HD2' ' HB2' ' A' ' 23' ' ' GLN . 50.1 Cg_exo -54.39 128.54 30.5 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.302 2.001 . . . . 0.0 111.674 174.167 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.97 -10.66 70.08 Favored Glycine 0 CA--C 1.508 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.336 -178.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.539 ' CG ' HD21 ' A' ' 22' ' ' LEU . 49.5 tpp -80.65 138.48 36.4 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 121.425 0.631 . . . . 0.0 110.224 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.3 ttp85 -81.6 142.19 33.01 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.05 -177.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.497 HG12 HD22 ' A' ' 22' ' ' LEU . 28.4 m -124.75 160.74 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-O 121.655 0.741 . . . . 0.0 110.715 -175.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.889 ' HB2' HD22 ' A' ' 76' ' ' LEU . 14.8 ttt180 -125.92 135.07 51.46 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.424 174.205 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.485 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 12.7 tpt -79.71 121.44 25.34 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.834 -0.166 . . . . 0.0 110.669 -178.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.464 HD22 ' HB2' ' A' ' 74' ' ' GLU . 87.9 mt -84.37 -22.04 30.65 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -136.06 160.73 37.75 Favored 'General case' 0 C--O 1.215 -0.733 0 C-N-CA 120.097 -0.641 . . . . 0.0 110.674 -170.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -91.33 129.22 37.34 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 176.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -153.96 98.88 2.21 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 -171.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.865 ' HB2' ' HH ' ' A' ' 66' ' ' TYR . 42.6 mt-10 63.43 -12.3 0.09 Allowed 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 115.321 1.6 . . . . 0.0 115.321 167.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -177.17 -40.32 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.275 0 O-C-N 121.585 -0.697 . . . . 0.0 109.832 -174.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.459 HG21 ' HG2' ' A' ' 30' ' ' MET . 31.0 mm -98.15 150.19 4.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -177.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.5 m -122.74 162.76 21.42 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.357 -177.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.16 128.27 35.32 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.502 177.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.26 -18.1 39.55 Favored Glycine 0 CA--C 1.503 -0.671 0 C-N-CA 120.382 -0.914 . . . . 0.0 112.814 -179.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -66.99 141.93 57.42 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -119.53 149.77 41.36 Favored 'General case' 0 N--CA 1.444 -0.76 0 O-C-N 123.705 0.628 . . . . 0.0 110.631 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -158.85 -171.95 25.33 Favored Glycine 0 N--CA 1.439 -1.146 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -177.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -122.45 146.49 47.32 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.605 ' HE1' ' HB3' ' A' ' 48' ' ' SER . 61.5 t80 -92.31 124.1 36.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.838 178.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -106.71 -55.63 2.3 Favored 'General case' 0 C--N 1.315 -0.931 0 O-C-N 123.709 0.631 . . . . 0.0 112.102 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -149.5 148.56 29.55 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-O 121.252 0.549 . . . . 0.0 110.742 -172.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.605 ' HB3' ' HE1' ' A' ' 45' ' ' PHE . 28.5 p . . . . . 0 N--CA 1.449 -0.504 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.65 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.517 ' HA ' ' HD1' ' A' ' 70' ' ' TRP . 41.2 Cg_exo . . . . . 0 CA--C 1.541 0.871 0 N-CA-C 115.979 1.492 . . . . 0.0 115.979 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -47.79 116.38 1.87 Allowed 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.789 2.326 . . . . 0.0 114.012 -176.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.554 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 5.6 p -130.14 133.92 63.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 123.771 0.669 . . . . 0.0 109.842 178.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -98.05 111.7 23.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.22 0.534 . . . . 0.0 110.16 -173.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.5 t -120.68 139.03 49.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.697 -176.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -91.21 114.03 26.45 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 174.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.485 ' CH2' ' HB2' ' A' ' 30' ' ' MET . 96.3 m95 -95.55 117.87 31.22 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.679 -178.446 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -76.56 -37.25 56.9 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.577 -171.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.18 -32.34 73.98 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.931 -175.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.2 p -95.51 -46.76 6.53 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.394 175.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 104.08 20.83 10.05 Favored Glycine 0 C--O 1.225 -0.426 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.703 176.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -129.69 148.48 51.58 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 117.053 0.427 . . . . 0.0 111.094 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.8 p -79.2 137.83 37.59 Favored 'General case' 0 C--O 1.249 1.028 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.48 171.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.865 ' HH ' ' HB2' ' A' ' 35' ' ' GLU . 82.7 t80 -144.99 141.34 28.86 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-O 120.463 0.173 . . . . 0.0 111.165 -174.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.554 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 27.9 m-90 -90.0 115.45 27.3 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 178.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.3 t -106.38 -154.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 123.4 0.68 . . . . 0.0 109.476 -176.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.685 ' HB2' ' HG3' ' A' ' 72' ' ' MET . 46.2 m-70 -136.46 133.9 37.08 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 105.448 -2.056 . . . . 0.0 105.448 -176.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.517 ' HD1' ' HA ' ' A' ' 53' ' ' PRO . 97.6 m95 -43.55 -51.85 6.56 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -176.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -76.75 1.21 17.88 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -174.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.685 ' HG3' ' HB2' ' A' ' 69' ' ' HIS . 53.6 mtp -95.63 -8.05 35.94 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.557 -0.715 . . . . 0.0 109.67 177.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.1 mt -101.07 136.92 40.15 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.554 -175.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.464 ' HB2' HD22 ' A' ' 31' ' ' LEU . 43.9 tt0 -108.13 138.24 44.73 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 173.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.506 HG22 HD23 ' A' ' 22' ' ' LEU . 36.8 pt -98.27 130.61 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.898 0 CA-C-O 121.075 0.464 . . . . 0.0 111.309 -174.489 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.889 HD22 ' HB2' ' A' ' 29' ' ' ARG . 2.6 mm? . . . . . 0 C--O 1.24 0.562 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 172.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 77.8 t80 . . . . . 0 CA--C 1.514 -0.411 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.491 ' HB3' ' HB2' ' A' ' 70' ' ' TRP . . . -62.63 -38.84 91.8 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 123.497 0.719 . . . . 0.0 111.231 177.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 pp -74.74 -28.71 60.89 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-O 121.67 0.747 . . . . 0.0 110.244 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -64.47 -53.77 43.07 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.132 176.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.4 m -69.44 -31.75 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.902 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.273 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 47.0 ttp180 -50.4 -54.13 24.15 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 122.925 0.49 . . . . 0.0 110.751 176.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -75.77 -11.97 60.09 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.572 -175.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.5 m -99.09 -16.88 18.48 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 121.524 0.678 . . . . 0.0 110.457 -179.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.519 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 26.0 tp -85.72 105.96 16.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.161 -176.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -92.35 149.41 38.33 Favored Pre-proline 0 C--O 1.238 0.485 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.081 177.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -55.99 126.08 21.2 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.775 2.317 . . . . 0.0 112.23 175.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.57 -19.08 24.37 Favored Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 120.533 -0.842 . . . . 0.0 111.359 -176.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 50.7 mtt -75.92 135.68 40.1 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.539 0.685 . . . . 0.0 110.502 178.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.7 ttm-85 -82.71 144.38 30.27 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.782 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.442 ' CG2' HD13 ' A' ' 73' ' ' LEU . 27.0 m -128.69 160.09 39.63 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.479 0 CA-C-N 115.573 -0.74 . . . . 0.0 112.193 -175.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.555 ' HE ' ' HG2' ' A' ' 42' ' ' GLU . 20.7 tpp85 -121.03 133.68 55.26 Favored 'General case' 0 C--N 1.31 -1.129 0 O-C-N 124.476 1.11 . . . . 0.0 110.214 179.236 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.545 ' HE2' ' SD ' ' A' ' 72' ' ' MET . 14.4 tpt -84.87 122.66 29.48 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.612 0.72 . . . . 0.0 110.15 176.52 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.7 mp -100.8 2.28 41.01 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.685 -175.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -144.97 156.25 43.85 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 118.081 0.4 . . . . 0.0 111.037 -176.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -91.06 122.25 33.56 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 177.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -144.92 97.28 2.99 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 123.563 0.54 . . . . 0.0 110.684 -169.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 58.05 -114.69 0.79 Allowed 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.279 0.562 . . . . 0.0 111.946 -177.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -75.79 -23.08 55.85 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.615 -174.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.465 HG23 ' HG2' ' A' ' 30' ' ' MET . 35.0 mm -95.28 147.32 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.856 -176.627 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.3 p -122.97 164.92 17.61 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.103 0.478 . . . . 0.0 109.907 -177.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.39 133.16 48.25 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.959 177.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.24 -15.12 57.98 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.586 -177.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -62.14 145.46 53.32 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.555 ' HG2' ' HE ' ' A' ' 29' ' ' ARG . 43.8 mt-10 -125.73 146.36 49.79 Favored 'General case' 0 CA--C 1.51 -0.562 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.403 ' HA2' ' HG3' ' A' ' 60' ' ' GLU . . . -153.46 -178.01 27.56 Favored Glycine 0 C--N 1.313 -0.698 0 C-N-CA 120.329 -0.939 . . . . 0.0 112.22 -177.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -116.58 141.03 48.72 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 115.161 -0.52 . . . . 0.0 109.644 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.519 ' CD2' ' HG ' ' A' ' 22' ' ' LEU . 60.7 t80 -93.09 124.63 37.2 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 -178.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -116.6 -43.29 2.92 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -176.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -145.09 148.87 34.13 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 119.382 -0.927 . . . . 0.0 112.158 -177.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.3 p . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.611 173.909 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.431 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 32.2 Cg_exo . . . . . 0 N--CA 1.478 0.592 0 N-CA-C 114.62 0.969 . . . . 0.0 114.62 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.431 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 31.5 Cg_endo -65.28 135.17 41.98 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 121.454 1.436 . . . . 0.0 112.663 177.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.627 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 7.5 p -130.35 140.02 49.88 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.891 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.995 178.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.532 ' OE1' ' HB ' ' A' ' 65' ' ' THR . 5.9 tp-100 -93.49 109.05 20.65 Favored 'General case' 0 C--O 1.247 0.923 0 O-C-N 123.243 0.34 . . . . 0.0 110.58 -178.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.2 t -124.88 134.71 66.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.838 -177.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -88.71 103.93 16.41 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.469 175.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.471 ' CH2' ' HB2' ' A' ' 30' ' ' MET . 98.9 m95 -83.32 117.55 23.07 Favored 'General case' 0 C--N 1.311 -1.08 0 O-C-N 123.668 0.605 . . . . 0.0 111.016 -175.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.403 ' HG3' ' HA2' ' A' ' 43' ' ' GLY . 43.8 mt-10 -69.29 -34.7 75.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.065 -172.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 m -64.56 -40.1 94.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.696 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.3 p -87.76 -36.52 17.27 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.228 0.537 . . . . 0.0 110.547 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.16 26.07 29.59 Favored Glycine 0 N--CA 1.46 0.269 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.086 178.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -147.2 165.13 30.96 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 121.257 -0.177 . . . . 0.0 110.846 -178.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.532 ' HB ' ' OE1' ' A' ' 56' ' ' GLN . 16.5 p -86.23 141.97 28.92 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 123.244 0.34 . . . . 0.0 111.576 179.252 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.467 ' HB3' ' CD1' ' A' ' 59' ' ' TRP . 72.3 t80 -146.26 143.73 29.38 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.921 -176.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.627 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 9.9 m-90 -93.63 116.17 28.66 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.927 0.767 . . . . 0.0 109.409 176.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.428 HG22 ' HZ2' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -114.93 -178.51 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -175.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.588 ' O ' ' HG2' ' A' ' 72' ' ' MET . 30.0 m-70 -109.2 136.12 49.2 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.068 174.384 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.506 ' HZ3' HD23 ' A' ' 22' ' ' LEU . 89.3 m95 -52.05 -43.0 63.57 Favored 'General case' 0 C--O 1.223 -0.316 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -174.079 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -71.83 -4.98 31.05 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -169.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.588 ' HG2' ' O ' ' A' ' 69' ' ' HIS . 20.9 ptp -111.31 9.44 21.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.907 0.86 . . . . 0.0 109.714 176.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.442 HD13 ' CG2' ' A' ' 28' ' ' VAL . 51.5 tp -118.37 135.46 54.31 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.138 -175.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -111.74 142.96 43.42 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-O 121.762 0.791 . . . . 0.0 110.704 179.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.0 tt -98.3 124.7 51.55 Favored 'Isoleucine or valine' 0 C--O 1.245 0.852 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.653 -174.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.6 mp . . . . . 0 CA--C 1.508 -0.653 0 C-N-CA 122.806 0.442 . . . . 0.0 110.777 177.814 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 64.1 t80 . . . . . 0 CA--C 1.51 -0.589 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.56 ' HB2' ' HB2' ' A' ' 70' ' ' TRP . . . -61.07 -30.59 70.42 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.925 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.2 tp -73.51 -41.48 63.02 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.452 0.644 . . . . 0.0 110.575 -178.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -66.74 -51.47 55.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.769 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.2 m -58.95 -41.74 83.99 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -178.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.491 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 7.0 ptm180 -71.88 -20.59 61.78 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-O 120.744 0.307 . . . . 0.0 111.611 -179.118 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -75.58 -35.89 60.48 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.819 178.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 m -82.51 -34.41 27.94 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 120.676 0.274 . . . . 0.0 110.279 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.669 ' HA ' ' SD ' ' A' ' 26' ' ' MET . 38.7 tp -71.79 96.67 1.67 Allowed 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.114 -177.078 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -86.48 162.36 45.64 Favored Pre-proline 0 N--CA 1.448 -0.565 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.788 178.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.427 ' HA ' ' CD2' ' A' ' 45' ' ' PHE . 35.8 Cg_exo -57.84 124.52 16.19 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.909 2.406 . . . . 0.0 111.647 176.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.08 -5.46 61.34 Favored Glycine 0 CA--C 1.508 -0.351 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.628 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.669 ' SD ' ' HA ' ' A' ' 22' ' ' LEU . 8.6 ttt -74.91 134.45 41.59 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.416 0.627 . . . . 0.0 109.949 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.585 ' HG3' ' O ' ' A' ' 43' ' ' GLY . 35.1 ttm180 -76.16 141.73 41.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.894 178.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.468 HG22 HG13 ' A' ' 57' ' ' VAL . 34.7 m -119.84 161.78 18.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.087 -173.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -121.42 122.58 40.11 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.127 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.588 ' HE1' ' O ' ' A' ' 32' ' ' ASP . 10.6 tpt -74.51 108.73 7.46 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-O 122.084 0.945 . . . . 0.0 109.206 176.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.01 -28.22 20.33 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.458 -1.246 . . . . 0.0 111.434 -171.291 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.588 ' O ' ' HE1' ' A' ' 30' ' ' MET . 18.8 t70 -135.7 138.73 43.06 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -178.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -75.88 145.79 40.25 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.258 0.552 . . . . 0.0 110.438 -173.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.471 ' HB2' ' HE2' ' A' ' 72' ' ' MET . 17.8 t80 -155.69 108.96 2.74 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.876 -176.504 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 54.29 -110.64 0.57 Allowed 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 114.855 -1.066 . . . . 0.0 112.648 176.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -72.47 -28.4 62.89 Favored 'General case' 0 CA--C 1.505 -0.765 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -178.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.509 HG22 ' HG2' ' A' ' 30' ' ' MET . 20.9 mm -98.69 147.59 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 CA-C-O 121.192 0.52 . . . . 0.0 109.697 -174.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 71.2 m -126.05 166.03 17.74 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -177.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.36 137.77 54.86 Favored 'General case' 0 N--CA 1.438 -1.042 0 O-C-N 122.157 -0.339 . . . . 0.0 110.745 -176.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.5 -14.89 57.78 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 121.237 -0.506 . . . . 0.0 112.754 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.441 ' CG ' ' HB3' ' A' ' 61' ' ' SER . 3.7 t70 -68.53 142.1 55.34 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 177.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -118.18 147.83 42.97 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 -178.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.585 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -159.11 -171.76 25.33 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.301 -0.952 . . . . 0.0 111.98 -176.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -125.19 144.14 50.59 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -178.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.427 ' CD2' ' HA ' ' A' ' 24' ' ' PRO . 49.5 t80 -86.59 118.13 25.81 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.442 -175.345 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.447 HH11 ' HD3' ' A' ' 46' ' ' ARG . 23.9 mmt-85 -85.25 -55.75 3.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.842 -0.163 . . . . 0.0 111.388 -178.266 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.72 170.8 1.93 Allowed 'General case' 0 CA--C 1.541 0.605 0 O-C-N 123.503 0.502 . . . . 0.0 110.731 -173.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.4 p . . . . . 0 C--N 1.309 -1.155 0 O-C-N 123.945 0.778 . . . . 0.0 109.325 179.746 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.489 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 26.1 Cg_exo . . . . . 0 CA--C 1.526 0.125 0 N-CA-C 114.587 0.957 . . . . 0.0 114.587 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 29.5 Cg_endo -62.56 130.94 31.59 Favored 'Trans proline' 0 C--N 1.368 1.601 0 C-N-CA 121.445 1.43 . . . . 0.0 113.048 178.339 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.721 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 4.6 p -130.38 139.89 50.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.195 -178.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -95.4 108.55 20.76 Favored 'General case' 0 N--CA 1.434 -1.247 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.524 -177.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.468 HG13 HG22 ' A' ' 28' ' ' VAL . 70.5 t -124.29 138.46 53.77 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 -175.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -97.96 123.28 41.89 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 176.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -95.14 112.87 24.52 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 -176.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.454 ' HG3' ' HA2' ' A' ' 43' ' ' GLY . 41.3 mt-10 -76.13 -17.59 59.52 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 124.1 0.875 . . . . 0.0 111.256 -169.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.441 ' HB3' ' CG ' ' A' ' 41' ' ' ASP . 25.9 t -79.89 -26.38 40.27 Favored 'General case' 0 N--CA 1.447 -0.621 0 O-C-N 123.556 0.535 . . . . 0.0 109.845 -178.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.1 p -105.27 -49.41 3.46 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-O 121.096 0.474 . . . . 0.0 111.353 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.58 16.21 14.99 Favored Glycine 0 CA--C 1.508 -0.389 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -173.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -114.16 139.86 49.0 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.488 -0.19 . . . . 0.0 110.488 -178.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.25 139.52 30.41 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 166.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -151.91 148.48 27.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.687 -175.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.721 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -93.12 116.21 28.82 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 121.418 0.627 . . . . 0.0 109.816 179.219 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.5 t -109.21 176.29 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 -176.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.513 ' O ' ' HG2' ' A' ' 72' ' ' MET . 21.7 m-70 -107.82 136.79 46.96 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 121.197 -0.201 . . . . 0.0 110.912 172.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.56 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 85.3 m95 -54.4 -35.55 62.99 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -172.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -79.24 2.76 20.06 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -171.48 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.513 ' HG2' ' O ' ' A' ' 69' ' ' HIS . 22.3 ptm -122.0 14.44 10.68 Favored 'General case' 0 C--O 1.241 0.657 0 C-N-CA 120.303 -0.559 . . . . 0.0 111.247 177.128 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 70' ' ' TRP . 4.0 pp -118.7 149.33 41.61 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.532 0.682 . . . . 0.0 111.653 177.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.49 140.24 38.89 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.414 175.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.41 HD13 ' CE ' ' A' ' 26' ' ' MET . 0.0 OUTLIER -94.75 119.4 42.72 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 C-N-CA 122.676 0.39 . . . . 0.0 110.826 -177.578 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.6 mt . . . . . 0 CA--C 1.511 -0.52 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 178.825 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 . . . . . 0 N--CA 1.446 -0.646 0 CA-C-O 121.897 0.856 . . . . 0.0 109.667 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.545 ' O ' ' HG3' ' A' ' 19' ' ' ARG . . . -61.56 -32.32 72.4 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 113.754 -1.566 . . . . 0.0 111.833 -178.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.9 tp -73.86 -48.68 29.4 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.232 178.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -60.45 -53.89 52.12 Favored 'General case' 0 CA--C 1.514 -0.418 0 O-C-N 123.352 0.408 . . . . 0.0 110.975 -177.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.7 m -54.53 -29.48 20.46 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.668 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -177.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.545 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 56.4 mtp180 -55.23 -37.76 67.61 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 177.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.1 -24.98 62.41 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -175.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.3 m -103.79 -17.72 14.95 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 122.35 -0.219 . . . . 0.0 110.974 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.504 HD23 HD12 ' A' ' 75' ' ' ILE . 0.9 OUTLIER -77.49 66.08 3.15 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.513 ' HG2' ' HE3' ' A' ' 26' ' ' MET . 2.4 pt20 -75.22 161.82 75.53 Favored Pre-proline 0 N--CA 1.444 -0.738 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.641 176.1 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -56.5 103.77 0.13 Allowed 'Trans proline' 0 C--O 1.24 0.616 0 C-N-CA 122.156 1.904 . . . . 0.0 111.321 171.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 130.44 -3.5 5.83 Favored Glycine 0 C--N 1.315 -0.637 0 N-CA-C 111.707 -0.557 . . . . 0.0 111.707 -177.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.513 ' HE3' ' HG2' ' A' ' 23' ' ' GLN . 23.9 mmt -90.26 110.22 21.28 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.145 0.497 . . . . 0.0 111.266 179.105 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.418 ' HD2' ' OE1' ' A' ' 60' ' ' GLU . 26.2 mtm180 -71.51 148.17 47.02 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.751 0.786 . . . . 0.0 110.757 174.189 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.553 ' HB ' ' HB2' ' A' ' 73' ' ' LEU . 35.8 m -124.68 157.15 32.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.494 -176.214 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -127.92 130.29 48.23 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.13 0.491 . . . . 0.0 110.613 176.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.476 ' SD ' ' HB3' ' A' ' 72' ' ' MET . 13.6 tpt -72.19 120.13 17.36 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.102 -176.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.622 HD22 ' HB2' ' A' ' 74' ' ' GLU . 95.7 mt -84.13 -33.33 24.32 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.54 -176.511 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.416 ' O ' ' HG3' ' A' ' 30' ' ' MET . 37.1 t70 -123.64 157.99 32.55 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.393 -176.277 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.521 ' HA ' ' HA ' ' A' ' 38' ' ' SER . 5.8 p-10 -82.83 134.73 35.09 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -157.96 108.07 2.14 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.068 -176.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 63.0 -118.86 0.55 Allowed 'General case' 0 C--N 1.322 -0.598 0 O-C-N 124.32 1.012 . . . . 0.0 110.963 175.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -73.61 -25.96 60.56 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.415 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.411 HG22 ' HG2' ' A' ' 30' ' ' MET . 23.5 mm -99.91 150.81 5.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 O-C-N 123.543 0.527 . . . . 0.0 111.04 -173.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.521 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 60.0 p -132.55 172.36 12.61 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -176.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.23 128.47 35.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.016 0.436 . . . . 0.0 110.72 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.66 -20.65 33.9 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.254 -0.974 . . . . 0.0 113.462 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -61.56 136.75 58.13 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.969 0.384 . . . . 0.0 110.629 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -109.85 147.01 34.1 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 120.961 0.41 . . . . 0.0 110.023 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.46 ' HA2' ' HG3' ' A' ' 60' ' ' GLU . . . -153.71 171.28 32.47 Favored Glycine 0 C--O 1.218 -0.897 0 C-N-CA 119.895 -1.145 . . . . 0.0 112.727 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -106.12 139.21 40.99 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 178.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -84.76 117.34 23.77 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -179.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.534 ' HD2' ' HB2' ' A' ' 58' ' ' PHE . 47.3 mtp85 -91.24 -51.19 5.43 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 119.929 -0.708 . . . . 0.0 110.648 179.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.439 HE21 ' HB3' ' A' ' 56' ' ' GLN . 0.7 OUTLIER 175.46 171.38 0.32 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.673 0.789 . . . . 0.0 109.459 178.197 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.439 ' HA ' ' HA ' ' A' ' 55' ' ' VAL . 9.1 p . . . . . 0 C--N 1.328 -0.327 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -179.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.45 ' HA ' ' HD1' ' A' ' 70' ' ' TRP . 2.9 Cg_exo . . . . . 0 CA--C 1.549 1.237 0 N-CA-C 116.141 1.554 . . . . 0.0 116.141 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -60.32 116.94 3.67 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 121.394 1.396 . . . . 0.0 112.584 174.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.523 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 13.7 p -129.54 139.88 50.55 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.414 -177.046 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.439 ' HB3' HE21 ' A' ' 47' ' ' GLN . 47.7 tt0 -100.62 115.98 31.47 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -177.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.6 t -124.01 131.11 73.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 O-C-N 124.243 0.964 . . . . 0.0 110.913 -173.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.534 ' HB2' ' HD2' ' A' ' 46' ' ' ARG . 79.4 t80 -88.05 117.96 27.28 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 176.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.438 ' HZ2' HG23 ' A' ' 68' ' ' VAL . 98.9 m95 -94.44 118.95 32.43 Favored 'General case' 0 C--N 1.31 -1.142 0 C-N-CA 120.326 -0.55 . . . . 0.0 111.456 -175.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.46 ' HG3' ' HA2' ' A' ' 43' ' ' GLY . 32.1 mt-10 -68.76 -47.37 66.39 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 124.552 1.157 . . . . 0.0 111.089 -173.042 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.7 p -61.66 -33.18 73.5 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.611 -176.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.9 m -85.4 -61.11 1.84 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.275 0.56 . . . . 0.0 110.138 176.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.04 11.65 12.12 Favored Glycine 0 C--N 1.31 -0.863 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.731 -177.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -132.33 155.49 48.29 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' A' ' 58' ' ' PHE . 19.4 m -92.97 148.34 22.08 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.831 177.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -150.24 147.72 28.02 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 122.03 -0.419 . . . . 0.0 110.881 -173.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.523 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 5.0 m-90 -90.14 117.6 29.03 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 175.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.438 HG23 ' HZ2' ' A' ' 59' ' ' TRP . 0.7 OUTLIER -119.02 -175.21 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.919 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.493 ' HB2' ' SD ' ' A' ' 72' ' ' MET . 21.8 m170 -105.28 139.81 39.37 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 170.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.45 ' HD1' ' HA ' ' A' ' 53' ' ' PRO . 86.5 m95 -47.13 -39.62 13.85 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 -176.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 -75.41 0.17 17.9 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.445 -0.502 . . . . 0.0 112.226 -174.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.493 ' SD ' ' HB2' ' A' ' 69' ' ' HIS . 0.8 OUTLIER -83.75 -28.7 28.02 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-O 121.21 0.529 . . . . 0.0 111.064 174.43 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.553 ' HB2' ' HB ' ' A' ' 28' ' ' VAL . 3.6 pp -105.42 146.84 28.94 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 121.209 0.528 . . . . 0.0 112.071 -171.207 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.622 ' HB2' HD22 ' A' ' 31' ' ' LEU . 43.2 tt0 -104.64 143.09 33.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 113.963 -1.471 . . . . 0.0 108.766 174.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.504 HD12 HD23 ' A' ' 22' ' ' LEU . 5.7 tt -91.48 109.18 20.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.092 0.472 . . . . 0.0 111.361 -176.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 N--CA 1.445 -0.696 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 172.431 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 75.1 t80 . . . . . 0 C--O 1.244 0.785 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.42 -22.34 66.76 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 122.7 0.4 . . . . 0.0 111.423 176.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.7 tp -72.23 -43.56 64.23 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -61.04 -48.22 82.77 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.876 -178.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.539 ' O ' ' HB3' ' A' ' 22' ' ' LEU . 28.4 m -61.07 -38.73 80.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.285 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -42.45 95.73 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 122.085 0.945 . . . . 0.0 109.626 175.63 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -64.59 -54.95 23.97 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.875 -176.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.8 m -90.92 -39.3 12.35 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -171.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.539 ' HB3' ' O ' ' A' ' 18' ' ' VAL . 54.3 tp -79.17 99.3 6.93 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.749 0.785 . . . . 0.0 109.852 -176.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -88.21 164.22 34.01 Favored Pre-proline 0 C--N 1.313 -1.012 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.746 -177.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.706 ' HA ' ' CD1' ' A' ' 45' ' ' PHE . 7.9 Cg_exo -71.05 99.62 0.9 Allowed 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.574 2.183 . . . . 0.0 112.299 178.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 147.69 -32.16 1.34 Allowed Glycine 0 C--O 1.222 -0.595 0 CA-C-N 115.65 -0.705 . . . . 0.0 112.127 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 69.1 mtm -76.51 160.83 29.13 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.38 0.61 . . . . 0.0 112.567 -177.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.57 ' HG2' HD22 ' A' ' 76' ' ' LEU . 21.9 ttm105 -80.46 146.77 31.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.967 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.442 HG23 HG12 ' A' ' 57' ' ' VAL . 23.8 m -124.79 151.02 29.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-O 121.757 0.789 . . . . 0.0 109.277 -178.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.508 ' CZ ' ' HA2' ' A' ' 40' ' ' GLY . 2.7 tmt_? -117.14 126.98 53.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.045 177.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.56 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . 12.6 tpt -80.23 109.78 15.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.056 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.56 ' CD2' ' HB2' ' A' ' 74' ' ' GLU . 0.3 OUTLIER -96.38 4.81 51.97 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -175.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.463 ' HB3' ' SD ' ' A' ' 72' ' ' MET . 2.1 t0 -145.45 170.0 17.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 121.913 -0.492 . . . . 0.0 111.445 -176.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -102.02 126.57 48.98 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -156.0 99.24 1.95 Allowed 'General case' 0 C--O 1.22 -0.452 0 C-N-CA 120.037 -0.665 . . . . 0.0 111.552 -176.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 55.57 -105.57 0.28 Allowed 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 114.835 -1.075 . . . . 0.0 112.258 172.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -64.35 -36.05 82.88 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.897 -177.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.481 HG23 ' HG2' ' A' ' 30' ' ' MET . 25.6 mm -109.96 153.97 11.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-O 121.217 0.532 . . . . 0.0 109.978 -171.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.8 t -125.3 164.6 20.01 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.092 -177.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.52 130.3 43.18 Favored 'General case' 0 C--O 1.249 1.047 0 CA-C-O 120.879 0.371 . . . . 0.0 110.256 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.508 ' HA2' ' CZ ' ' A' ' 29' ' ' ARG . . . 107.09 -14.43 40.41 Favored Glycine 0 N--CA 1.431 -1.693 0 C-N-CA 121.214 -0.517 . . . . 0.0 112.566 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -71.29 151.7 43.97 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.993 -0.71 . . . . 0.0 110.309 176.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -129.7 155.79 45.33 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.285 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.552 ' HA2' ' HG3' ' A' ' 60' ' ' GLU . . . -160.82 -174.88 31.21 Favored Glycine 0 N--CA 1.434 -1.477 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.591 -178.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -123.6 141.4 52.05 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 124.294 0.644 . . . . 0.0 109.609 -177.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.706 ' CD1' ' HA ' ' A' ' 24' ' ' PRO . 7.0 t80 -82.28 115.18 21.23 Favored 'General case' 0 C--O 1.244 0.793 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -174.138 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -84.27 -53.54 5.41 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 121.679 -0.638 . . . . 0.0 110.328 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -173.2 164.93 4.84 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.284 -176.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.532 ' HB3' ' HZ ' ' A' ' 45' ' ' PHE . 21.4 p . . . . . 0 N--CA 1.445 -0.716 0 CA-C-O 120.761 0.315 . . . . 0.0 110.291 -178.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.557 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 52.3 Cg_exo . . . . . 0 CA--C 1.549 1.245 0 N-CA-C 115.11 1.158 . . . . 0.0 115.11 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 0.9 OUTLIER -42.42 123.79 2.91 Favored 'Trans proline' 0 C--N 1.366 1.471 0 C-N-CA 122.949 2.433 . . . . 0.0 113.858 -175.076 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.603 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 5.6 p -129.29 137.25 57.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.582 179.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -96.66 107.49 19.94 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.815 0.341 . . . . 0.0 110.594 -174.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.442 HG12 HG23 ' A' ' 28' ' ' VAL . 72.8 t -122.26 136.58 58.66 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.172 0 CA-C-N 116.74 -0.209 . . . . 0.0 110.498 -178.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -93.83 116.82 29.32 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 176.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.56 ' CZ3' ' HB2' ' A' ' 30' ' ' MET . 98.2 m95 -90.21 110.36 21.4 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 121.729 0.776 . . . . 0.0 110.631 -177.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.552 ' HG3' ' HA2' ' A' ' 43' ' ' GLY . 41.1 mt-10 -73.31 -34.17 65.56 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.057 -170.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 45.5 t -62.75 -33.62 75.53 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.639 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.5 m -96.88 -48.84 5.28 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.27 -178.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.77 19.52 9.62 Favored Glycine 0 N--CA 1.451 -0.315 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 178.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -132.17 148.56 52.47 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 122.419 -0.459 . . . . 0.0 110.447 -177.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.94 142.62 32.28 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.606 171.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -148.74 146.29 28.02 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.603 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 24.1 m-90 -92.62 114.53 27.11 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 176.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -101.64 -156.39 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.306 -1.306 0 C-N-CA 123.723 0.809 . . . . 0.0 109.795 -172.26 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -137.88 135.52 36.22 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 -170.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -48.74 -50.25 34.62 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 26.5 p80 -68.29 -11.11 58.9 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.69 -0.631 . . . . 0.0 111.658 -177.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.463 ' SD ' ' HB3' ' A' ' 32' ' ' ASP . 47.9 tpp -95.51 -10.94 28.35 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -176.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.1 mt -103.94 132.83 49.81 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 120.891 -0.324 . . . . 0.0 111.551 -173.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.56 ' HB2' ' CD2' ' A' ' 31' ' ' LEU . 37.6 tt0 -109.04 145.63 35.28 Favored 'General case' 0 C--O 1.225 -0.211 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 171.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.8 tt -107.14 121.65 60.26 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.127 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.712 -179.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.57 HD22 ' HG2' ' A' ' 27' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.223 0 C-N-CA 119.991 -0.683 . . . . 0.0 110.614 178.238 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.3 t80 . . . . . 0 C--O 1.213 -0.826 0 CA-C-O 121.135 0.493 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.77 -31.24 72.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.826 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 68.3 tp -73.72 -45.33 52.78 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 121.259 0.552 . . . . 0.0 110.215 177.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -56.15 -53.94 51.14 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.885 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.414 HG13 HD12 ' A' ' 75' ' ' ILE . 22.3 m -63.79 -43.31 97.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -178.26 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -69.53 -22.65 63.56 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 118.151 0.432 . . . . 0.0 111.046 -176.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -66.39 -44.96 81.64 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.777 178.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.2 t -94.03 -28.47 15.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.676 -175.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.516 HD21 HG21 ' A' ' 75' ' ' ILE . 16.9 tp -77.54 97.64 5.1 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.477 0.656 . . . . 0.0 111.037 -174.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.501 ' HG2' ' HE1' ' A' ' 26' ' ' MET . 3.1 pt20 -93.09 154.75 41.63 Favored Pre-proline 0 N--CA 1.446 -0.636 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.521 178.092 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -49.18 120.77 5.96 Favored 'Trans proline' 0 C--O 1.246 0.878 0 C-N-CA 122.948 2.432 . . . . 0.0 111.81 173.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.65 -12.01 20.96 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.643 -0.789 . . . . 0.0 111.798 -176.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.501 ' HE1' ' HG2' ' A' ' 23' ' ' GLN . 49.2 mtt -89.1 123.27 33.22 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.322 0.582 . . . . 0.0 111.312 172.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 37.9 mtm180 -77.43 149.02 35.15 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.986 0.898 . . . . 0.0 111.804 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.9 m -122.08 161.75 22.46 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.519 0 CA-C-N 114.452 -1.249 . . . . 0.0 111.991 -177.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.0 ttm-85 -123.09 136.68 54.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.179 176.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.528 ' HG2' HG21 ' A' ' 37' ' ' ILE . 15.0 tpt -89.07 125.75 35.15 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.913 -0.492 . . . . 0.0 110.42 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.437 HD11 ' HA ' ' A' ' 31' ' ' LEU . 4.1 mm? -112.7 -3.58 14.23 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.371 -175.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -124.0 163.55 21.17 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 118.209 0.459 . . . . 0.0 110.52 -176.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -88.59 118.87 28.55 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 176.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.445 ' HB2' ' HE1' ' A' ' 30' ' ' MET . 5.9 t80 -127.49 178.97 5.74 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.441 -174.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.46 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 1.4 mp0 -70.03 91.72 0.7 Allowed 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.795 -176.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' A' ' 35' ' ' GLU . 42.7 mt-10 95.84 -26.61 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.574 0 O-C-N 124.91 1.381 . . . . 0.0 110.153 175.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.528 HG21 ' HG2' ' A' ' 30' ' ' MET . 42.5 mm -97.78 144.95 10.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 177.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.7 m -132.35 174.87 9.8 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 -175.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.3 131.86 46.58 Favored 'General case' 0 N--CA 1.436 -1.131 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.106 -178.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.5 -18.76 37.77 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.762 178.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -63.16 136.89 58.02 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 117.518 0.659 . . . . 0.0 110.939 177.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 42.0 mt-10 -104.63 142.32 34.88 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.942 176.241 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -143.14 162.2 27.55 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 119.578 -1.296 . . . . 0.0 112.371 -178.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -103.03 135.76 44.12 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -88.78 114.12 25.06 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 -177.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -83.54 -56.43 3.74 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.453 -177.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -178.35 172.54 1.49 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.843 -172.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.5 m . . . . . 0 C--O 1.248 1.003 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.318 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.505 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 2.1 Cg_endo . . . . . 0 CA--C 1.546 1.108 0 N-CA-C 117.936 2.245 . . . . 0.0 117.936 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 3.9 Cg_endo -44.8 142.32 5.16 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 121.58 1.52 . . . . 0.0 114.352 178.363 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.677 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 12.6 p -133.14 141.31 45.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-N 114.174 -1.375 . . . . 0.0 108.697 -174.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.4 ' HA ' ' OE1' ' A' ' 56' ' ' GLN . 6.1 tp60 -92.32 108.13 19.73 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.422 -176.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 98.9 t -124.87 136.53 60.51 Favored 'Isoleucine or valine' 0 C--O 1.241 0.635 0 CA-C-O 121.395 0.616 . . . . 0.0 110.4 -175.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.401 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 82.3 t80 -93.2 118.76 31.61 Favored 'General case' 0 N--CA 1.44 -0.933 0 O-C-N 121.865 -0.522 . . . . 0.0 110.645 175.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.485 ' CH2' ' HB2' ' A' ' 30' ' ' MET . 95.6 m95 -95.74 114.36 26.09 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.118 0.485 . . . . 0.0 109.807 -178.075 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 8.5 pt-20 -72.82 -29.82 63.55 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.976 -170.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.2 p -61.95 -35.42 78.4 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 124.055 0.847 . . . . 0.0 111.703 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.7 p -104.25 -25.66 12.8 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.66 178.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.24 16.91 65.83 Favored Glycine 0 CA--C 1.521 0.424 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.855 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -117.46 143.0 46.47 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-O 120.956 0.407 . . . . 0.0 110.807 -176.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.401 ' HA ' ' HA ' ' A' ' 58' ' ' PHE . 16.3 p -83.85 143.25 30.04 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.005 169.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.411 ' HE2' ' CE2' ' A' ' 34' ' ' TYR . 27.3 t80 -153.95 147.69 25.32 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.433 0.159 . . . . 0.0 111.116 -177.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.677 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 24.5 m-90 -91.17 115.03 27.7 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 179.48 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.482 ' O ' HG11 ' A' ' 55' ' ' VAL . 2.0 t -116.87 -179.61 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -177.585 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.599 ' O ' ' HG2' ' A' ' 72' ' ' MET . 14.8 m-70 -109.18 138.35 45.66 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.634 175.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 64.9 m95 -51.33 -38.9 55.5 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -177.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -69.67 -4.88 21.45 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -168.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.599 ' HG2' ' O ' ' A' ' 69' ' ' HIS . 5.1 ptm -120.42 11.91 11.53 Favored 'General case' 0 C--O 1.24 0.577 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.953 -177.189 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.8 mp -117.0 145.5 43.63 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.125 0.488 . . . . 0.0 110.231 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -102.43 139.61 37.8 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 172.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.516 HG21 HD21 ' A' ' 22' ' ' LEU . 21.8 pt -99.08 130.44 48.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -176.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.403 HD11 ' HA ' ' A' ' 76' ' ' LEU . 3.7 mm? . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.378 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 68.7 t80 . . . . . 0 C--O 1.226 -0.159 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' A' ' 19' ' ' ARG . . . -67.77 -25.33 65.55 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 114.801 -1.09 . . . . 0.0 111.134 178.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 36.1 tp -75.76 -49.66 17.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.162 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -56.97 -55.3 36.42 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.365 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.689 ' HB ' HD13 ' A' ' 75' ' ' ILE . 34.2 m -59.48 -35.89 61.42 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.508 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.794 -179.22 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 36.2 ttm180 -52.87 -40.68 63.63 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -179.094 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -63.36 -42.72 98.91 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 121.37 0.605 . . . . 0.0 111.009 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.492 ' O ' ' HE3' ' A' ' 26' ' ' MET . 11.1 m -79.42 -25.22 42.08 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.58 0.705 . . . . 0.0 110.69 -177.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.639 HD11 ' HB2' ' A' ' 26' ' ' MET . 30.1 tp -80.15 88.86 5.42 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-O 121.488 0.661 . . . . 0.0 110.984 -174.234 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.681 ' N ' HE21 ' A' ' 23' ' ' GLN . 0.0 OUTLIER -94.51 158.58 35.33 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.72 173.256 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -53.23 115.58 2.38 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.054 1.836 . . . . 0.0 111.695 173.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.62 -17.67 10.18 Favored Glycine 0 N--CA 1.449 -0.446 0 O-C-N 123.681 0.613 . . . . 0.0 111.72 -176.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.639 ' HB2' HD11 ' A' ' 22' ' ' LEU . 17.3 mmt -71.11 133.7 46.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.157 0.503 . . . . 0.0 111.253 176.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.414 ' HD2' ' N ' ' A' ' 27' ' ' ARG . 2.5 mpt_? -83.55 148.05 27.42 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.107 174.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.8 m -125.59 156.09 35.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -177.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -115.8 122.85 46.68 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 124.281 0.988 . . . . 0.0 109.45 177.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.505 ' HG2' HG22 ' A' ' 37' ' ' ILE . 9.9 tpt -74.57 119.23 18.48 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.624 HD12 ' HB2' ' A' ' 74' ' ' GLU . 96.2 mt -94.05 -18.62 21.64 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -174.26 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.459 ' O ' ' HE1' ' A' ' 30' ' ' MET . 15.8 t70 -133.38 154.52 50.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.59 -0.694 . . . . 0.0 110.25 -175.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -85.11 127.83 34.4 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -149.32 100.34 3.01 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.35 0.595 . . . . 0.0 110.22 -173.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 47.91 -107.11 0.18 Allowed 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 114.316 -1.311 . . . . 0.0 112.473 -178.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -66.19 -33.7 76.35 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.816 -175.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.505 HG22 ' HG2' ' A' ' 30' ' ' MET . 18.0 mm -100.56 150.7 5.48 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 O-C-N 122.177 -0.327 . . . . 0.0 110.665 -172.078 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.7 m -122.95 166.71 14.62 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.653 -178.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.82 127.81 34.17 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.54 -19.13 39.96 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.879 -0.677 . . . . 0.0 113.134 -179.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -63.82 141.69 58.68 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 122.489 -0.418 . . . . 0.0 111.009 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -104.32 147.05 27.95 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.434 0.635 . . . . 0.0 111.094 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -151.52 -178.68 26.52 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.846 177.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.404 ' HA ' ' HA ' ' A' ' 27' ' ' ARG . 42.9 tt0 -130.78 147.4 52.44 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.902 0.382 . . . . 0.0 110.158 177.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.408 ' HE1' HG21 ' A' ' 55' ' ' VAL . 74.9 t80 -91.54 124.13 35.48 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -177.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.71 ' HD2' ' HB2' ' A' ' 58' ' ' PHE . 52.8 mtp85 -103.18 -44.17 5.27 Favored 'General case' 0 C--N 1.318 -0.794 0 O-C-N 123.486 0.491 . . . . 0.0 111.587 -177.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.464 HE21 ' HB3' ' A' ' 56' ' ' GLN . 0.8 OUTLIER -178.32 169.08 1.86 Allowed 'General case' 0 C--O 1.234 0.285 0 O-C-N 124.056 0.847 . . . . 0.0 110.732 179.104 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.501 ' HB3' HG21 ' A' ' 55' ' ' VAL . 58.0 p . . . . . 0 N--CA 1.466 0.339 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.865 -174.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo . . . . . 0 CA--C 1.558 1.717 0 N-CA-C 116.738 1.784 . . . . 0.0 116.738 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -62.3 113.99 2.15 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 121.214 1.276 . . . . 0.0 113.469 -172.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.562 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 7.9 p -125.72 134.85 65.66 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.81 176.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.464 ' HB3' HE21 ' A' ' 47' ' ' GLN . 8.5 tt0 -98.15 113.18 25.0 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.317 0.579 . . . . 0.0 110.354 -175.407 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.0 t -119.36 131.86 70.82 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.549 -177.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.71 ' HB2' ' HD2' ' A' ' 46' ' ' ARG . 69.3 t80 -84.28 103.71 13.7 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.477 175.343 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.496 ' CH2' ' HB2' ' A' ' 30' ' ' MET . 99.1 m95 -85.99 116.61 24.32 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 -177.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.96 -12.22 59.73 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.283 0.564 . . . . 0.0 110.03 -174.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 31.4 t -67.43 -43.77 80.39 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.147 174.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.4 p -96.51 -21.34 17.76 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.502 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.01 28.86 48.63 Favored Glycine 0 CA--C 1.502 -0.722 0 C-N-CA 120.47 -0.871 . . . . 0.0 113.115 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -152.08 165.63 34.12 Favored 'General case' 0 C--O 1.242 0.665 0 O-C-N 122.471 -0.429 . . . . 0.0 111.423 -175.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 p -86.78 150.17 24.34 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.909 178.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -152.45 145.72 24.72 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.673 -179.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.562 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 27.0 m-90 -96.43 115.9 28.19 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-O 121.137 0.494 . . . . 0.0 109.831 178.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.433 ' O ' HG12 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -113.96 -178.32 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 -177.311 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.586 ' O ' ' HG2' ' A' ' 72' ' ' MET . 39.8 m-70 -98.55 133.41 42.95 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 173.065 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 83.9 m95 -44.41 -50.44 9.27 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -70.29 -0.09 7.39 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -167.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.586 ' HG2' ' O ' ' A' ' 69' ' ' HIS . 14.9 ptm -113.48 10.71 18.26 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.927 0.785 . . . . 0.0 113.074 -174.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.445 ' N ' HD13 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -130.26 159.58 36.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.348 0.594 . . . . 0.0 112.065 173.303 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.624 ' HB2' HD12 ' A' ' 31' ' ' LEU . 45.1 tt0 -112.12 157.13 21.18 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.079 -179.037 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.689 HD13 ' HB ' ' A' ' 18' ' ' VAL . 29.2 mm -85.61 123.4 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.441 -179.344 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.2 mt . . . . . 0 N--CA 1.455 -0.217 0 CA-C-O 121.497 0.665 . . . . 0.0 109.886 172.678 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.45 ' O ' ' HB2' ' A' ' 7' ' ' GLU . 9.0 tmm? . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.579 ' C ' ' H ' ' A' ' 7' ' ' GLU . 75.7 mtt180 -58.18 -26.67 63.06 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 122.037 -0.414 . . . . 0.0 111.64 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -68.36 14.56 0.07 Allowed 'General case' 0 CA--C 1.549 0.933 0 CA-C-O 121.407 0.622 . . . . 0.0 110.909 174.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.579 ' H ' ' C ' ' A' ' 5' ' ' ARG . 27.9 tt0 -52.98 -20.68 3.6 Favored 'General case' 0 C--O 1.245 0.836 0 C-N-CA 124.604 1.162 . . . . 0.0 112.342 -177.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.428 ' CG ' ' HB ' ' A' ' 13' ' ' THR . 91.9 m-85 -53.14 159.03 1.35 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 122.429 0.292 . . . . 0.0 110.849 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.83 -45.89 59.78 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -171.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.7 m -113.01 -11.21 13.41 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-O 121.8 0.81 . . . . 0.0 110.348 177.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.16 -3.11 82.35 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.315 -179.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -69.67 -28.42 65.85 Favored 'General case' 0 N--CA 1.458 -0.072 0 O-C-N 122.476 -0.426 . . . . 0.0 110.751 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.428 ' HB ' ' CG ' ' A' ' 8' ' ' PHE . 4.1 m -65.33 -31.14 72.11 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.495 0.664 . . . . 0.0 110.838 177.069 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.448 ' O ' HG22 ' A' ' 18' ' ' VAL . 46.3 t80 -65.89 -44.74 84.4 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.438 176.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.418 ' HA ' ' HB3' ' A' ' 70' ' ' TRP . . . -56.21 -35.78 67.71 Favored 'General case' 0 C--O 1.241 0.64 0 O-C-N 124.246 0.966 . . . . 0.0 111.511 174.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.4 tp -72.69 -46.41 53.9 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.609 0.719 . . . . 0.0 110.973 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -57.33 -55.18 38.14 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.332 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 14' ' ' TYR . 29.1 m -61.9 -44.26 98.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.63 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -54.4 -37.4 65.02 Favored 'General case' 0 C--O 1.209 -1.076 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -65.35 -42.29 93.0 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-O 121.023 0.44 . . . . 0.0 110.429 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.0 m -88.81 -29.33 19.82 Favored 'General case' 0 C--O 1.244 0.8 0 O-C-N 121.381 -0.824 . . . . 0.0 111.215 -175.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.59 89.3 2.21 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.649 ' N ' HE21 ' A' ' 23' ' ' GLN . 0.0 OUTLIER -102.83 157.4 33.79 Favored Pre-proline 0 C--N 1.312 -1.033 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.794 173.31 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.419 ' HA ' ' O ' ' A' ' 45' ' ' PHE . 76.5 Cg_exo -48.09 113.59 0.86 Allowed 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.167 1.912 . . . . 0.0 112.169 175.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.06 -15.54 8.85 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.911 -176.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 22.5 mmt -77.15 125.8 29.91 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 121.309 0.576 . . . . 0.0 109.929 174.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.681 ' HB2' ' OE1' ' A' ' 79' ' ' GLU . 11.4 ttm180 -76.79 149.36 36.26 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-O 121.198 0.523 . . . . 0.0 110.007 178.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.1 m -134.83 155.84 38.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 -176.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.714 ' HB2' HD13 ' A' ' 76' ' ' LEU . 50.5 ttt85 -123.77 137.32 54.7 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.388 174.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.456 ' HG2' HG22 ' A' ' 37' ' ' ILE . 12.8 tpt -78.01 110.26 12.79 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.0 tp -89.17 -25.36 21.85 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.153 -1.385 . . . . 0.0 110.593 -171.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.434 ' O ' ' HG3' ' A' ' 30' ' ' MET . 19.8 t70 -120.32 154.46 34.99 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.548 ' OD1' ' HA ' ' A' ' 38' ' ' SER . 20.4 t70 -96.06 127.99 42.56 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 120.661 -0.416 . . . . 0.0 109.953 179.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -156.61 116.62 3.56 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 120.315 -0.554 . . . . 0.0 112.029 -170.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 60.85 -124.66 0.94 Allowed 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.577 1.151 . . . . 0.0 111.276 174.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -70.65 -24.7 62.76 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.9 0.857 . . . . 0.0 111.504 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.456 HG22 ' HG2' ' A' ' 30' ' ' MET . 27.4 mm -91.62 145.69 7.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -174.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.548 ' HA ' ' OD1' ' A' ' 33' ' ' ASP . 22.2 m -120.26 149.73 41.82 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.061 -176.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.05 129.79 43.53 Favored 'General case' 0 N--CA 1.446 -0.673 0 O-C-N 123.458 0.474 . . . . 0.0 111.203 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.44 -12.46 47.44 Favored Glycine 0 C--N 1.317 -0.515 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.619 -177.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.447 ' CG ' ' HG ' ' A' ' 61' ' ' SER . 28.8 t0 -62.88 143.14 57.91 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -122.75 146.99 47.02 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.69 -171.23 27.48 Favored Glycine 0 N--CA 1.438 -1.22 0 C-N-CA 120.94 -0.647 . . . . 0.0 111.685 -174.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -123.11 148.85 45.22 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 -177.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.419 ' O ' ' HA ' ' A' ' 24' ' ' PRO . 22.0 t80 -86.86 113.82 22.99 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.552 0.691 . . . . 0.0 109.243 178.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.0 mmm180 -91.07 -50.48 5.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.221 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.499 ' HG3' ' HB3' ' A' ' 56' ' ' GLN . 4.3 pt20 -167.21 165.91 15.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.544 -177.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.477 ' HB3' HG22 ' A' ' 55' ' ' VAL . 25.3 p -140.42 167.71 21.52 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.155 0.503 . . . . 0.0 111.341 178.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -95.11 106.24 18.23 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 170.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -74.0 65.83 1.13 Allowed 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.4 0.619 . . . . 0.0 112.519 -167.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.17 -18.31 0.07 OUTLIER Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 121.151 -0.547 . . . . 0.0 111.86 171.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.5 ' HB ' ' HD2' ' A' ' 53' ' ' PRO . 4.1 m -122.18 160.86 45.83 Favored Pre-proline 0 CA--C 1.533 0.311 0 O-C-N 122.207 -0.584 . . . . 0.0 110.561 178.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.528 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 6.9 Cg_endo -52.6 -41.18 70.18 Favored 'Trans proline' 0 CA--C 1.544 1.021 0 C-N-CA 123.67 2.914 . . . . 0.0 116.145 -178.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 10.0 Cg_endo -54.75 124.8 17.1 Favored 'Trans proline' 0 C--N 1.368 1.56 0 C-N-CA 122.214 1.943 . . . . 0.0 114.183 -177.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.651 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 4.6 p -129.07 137.62 56.67 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.496 177.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.732 HE21 ' HA ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -92.45 107.2 19.03 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 -176.576 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.8 t -124.59 139.74 49.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.885 -177.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -97.24 118.55 33.92 Favored 'General case' 0 C--N 1.315 -0.891 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 176.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -94.73 122.75 37.66 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 121.65 0.738 . . . . 0.0 110.367 -177.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -70.16 -49.64 48.4 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 114.085 -1.416 . . . . 0.0 112.34 -171.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.447 ' HG ' ' CG ' ' A' ' 41' ' ' ASP . 59.8 p -66.09 -34.83 78.96 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.74 -171.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.1 p -83.26 -50.5 8.34 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.484 0.659 . . . . 0.0 109.782 176.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.5 21.79 18.45 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 -179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -119.84 141.02 49.91 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 -178.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.9 m -85.79 137.09 33.03 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 170.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -143.15 146.29 33.59 Favored 'General case' 0 C--N 1.314 -0.955 0 O-C-N 123.308 0.38 . . . . 0.0 110.389 -171.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.651 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 8.8 m-90 -89.04 113.85 25.01 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 171.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.4 t -104.23 -155.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.671 -171.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 32.2 m-70 -138.28 133.99 33.77 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 -172.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.418 ' HB3' ' HA ' ' A' ' 15' ' ' ALA . 89.5 m95 -52.18 -45.37 65.11 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 -177.008 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.443 ' HA ' ' CD2' ' A' ' 14' ' ' TYR . 6.5 p80 -69.03 -11.38 60.74 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -173.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 20.1 ptp -112.1 13.06 20.6 Favored 'General case' 0 C--O 1.221 -0.43 0 O-C-N 121.679 -0.638 . . . . 0.0 111.549 -178.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.633 HD12 HG11 ' A' ' 55' ' ' VAL . 77.7 mt -99.78 128.28 45.88 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.445 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.481 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . 9.4 tp10 -100.05 125.66 46.14 Favored 'General case' 0 C--O 1.223 -0.341 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 173.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.467 HG12 ' H ' ' A' ' 77' ' ' GLY . 10.6 tt -83.13 127.66 39.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.277 0.56 . . . . 0.0 111.927 -174.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.714 HD13 ' HB2' ' A' ' 29' ' ' ARG . 85.2 mt -127.11 31.08 5.32 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 176.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.467 ' H ' HG12 ' A' ' 75' ' ' ILE . . . -73.34 -175.95 31.12 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.572 -173.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 65.0 30.09 11.95 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 123.117 0.567 . . . . 0.0 109.789 -177.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.681 ' OE1' ' HB2' ' A' ' 27' ' ' ARG . 10.1 pt-20 -66.06 -24.86 66.8 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 121.196 0.522 . . . . 0.0 111.229 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 . . . . . 0 C--O 1.242 0.668 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.294 179.394 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.545 ' O ' ' HG2' ' A' ' 7' ' ' GLU . 25.8 ptm . . . . . 0 N--CA 1.449 -0.511 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.576 ' HD2' ' O ' ' A' ' 71' ' ' HIS . 41.8 ttp180 -44.3 -33.7 1.69 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.599 1.16 . . . . 0.0 112.894 -178.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.82 4.34 12.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 123.759 0.662 . . . . 0.0 112.542 -171.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.545 ' HG2' ' O ' ' A' ' 4' ' ' MET . 51.2 mm-40 -62.19 -27.47 69.0 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 118.442 0.565 . . . . 0.0 110.99 177.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.585 ' HB2' ' HA2' ' A' ' 11' ' ' GLY . 65.3 m-85 -82.71 178.62 8.1 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.914 0.388 . . . . 0.0 110.381 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.34 -46.97 82.76 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-O 121.653 0.74 . . . . 0.0 111.375 -178.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.8 t -131.48 1.48 4.11 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.497 174.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.585 ' HA2' ' HB2' ' A' ' 8' ' ' PHE . . . 80.56 22.24 62.61 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -176.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -77.74 -27.1 50.36 Favored 'General case' 0 C--O 1.239 0.552 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -174.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.7 m -61.67 -27.54 68.75 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 121.666 -0.647 . . . . 0.0 110.393 177.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -60.83 -37.95 83.79 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.559 0.695 . . . . 0.0 109.354 175.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.497 ' HB2' ' HB3' ' A' ' 71' ' ' HIS . . . -63.13 -29.99 71.23 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.523 178.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 36.5 tp -70.85 -44.82 65.63 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-O 121.705 0.764 . . . . 0.0 110.155 -178.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -64.69 -53.54 45.73 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 114.519 -1.218 . . . . 0.0 110.63 177.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.475 HG23 ' HA ' ' A' ' 15' ' ' ALA . 34.2 m -62.91 -44.83 99.86 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 O-C-N 123.429 0.455 . . . . 0.0 112.148 -175.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.429 ' HA ' ' CZ3' ' A' ' 70' ' ' TRP . 46.2 ptt85 -59.14 -25.74 64.15 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 118.48 0.582 . . . . 0.0 111.861 -178.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -87.62 -43.95 11.58 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.933 -0.479 . . . . 0.0 111.771 -177.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.2 m -82.97 -24.6 32.88 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.299 0.571 . . . . 0.0 111.952 -173.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.437 HD12 ' HB3' ' A' ' 26' ' ' MET . 19.1 tp -70.93 94.52 1.08 Allowed 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.178 0.513 . . . . 0.0 111.488 -176.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -80.69 152.37 72.29 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.689 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -57.02 110.96 0.67 Allowed 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.399 2.066 . . . . 0.0 111.429 176.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.17 -9.44 24.83 Favored Glycine 0 CA--C 1.519 0.333 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.99 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.628 ' HG3' ' HA2' ' A' ' 77' ' ' GLY . 47.2 ttm -76.15 134.81 39.84 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.368 0.604 . . . . 0.0 110.978 -178.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -74.91 150.02 39.27 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.189 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.432 HG21 HG12 ' A' ' 57' ' ' VAL . 25.5 m -134.37 157.32 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.119 -177.044 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.488 ' HB2' HD11 ' A' ' 76' ' ' LEU . 27.9 ttp-105 -126.67 143.79 51.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.607 177.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.459 ' HE1' ' HE2' ' A' ' 72' ' ' MET . 11.4 tpt -87.06 141.08 28.92 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.168 177.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.418 ' N ' HD13 ' A' ' 31' ' ' LEU . 5.7 mp -94.98 -43.65 8.06 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-O 121.503 0.668 . . . . 0.0 111.337 -175.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -134.99 155.73 50.26 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 114.999 -1.001 . . . . 0.0 111.551 -176.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -74.28 135.1 42.61 Favored 'General case' 0 C--O 1.245 0.836 0 C-N-CA 122.377 0.271 . . . . 0.0 110.349 -175.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.4 ' C ' ' H ' ' A' ' 36' ' ' GLU . 61.8 t80 -155.6 98.82 1.98 Allowed 'General case' 0 C--O 1.244 0.779 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -171.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.482 ' HG2' ' HG3' ' A' ' 36' ' ' GLU . 42.3 tt0 69.47 -30.85 0.2 Allowed 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 165.303 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.482 ' HG3' ' HG2' ' A' ' 35' ' ' GLU . 37.1 mt-10 -163.46 -38.24 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 122.888 0.475 . . . . 0.0 110.312 -169.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.9 mm -101.4 150.06 6.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.304 -0.862 . . . . 0.0 108.932 -177.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.8 t -117.9 155.78 29.59 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.939 0.4 . . . . 0.0 110.28 -175.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.3 123.64 17.87 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.118 175.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.71 -13.49 50.23 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.874 -176.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -66.25 150.03 49.43 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 117.699 0.75 . . . . 0.0 110.39 175.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -129.65 150.08 51.13 Favored 'General case' 0 C--O 1.244 0.8 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.897 -177.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -158.08 -171.81 24.46 Favored Glycine 0 CA--C 1.501 -0.815 0 C-N-CA 120.648 -0.787 . . . . 0.0 111.851 -177.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -126.76 150.69 48.97 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.958 0.885 . . . . 0.0 109.379 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -95.07 118.67 32.28 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.008 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 54.8 mtp85 -107.94 -51.97 2.83 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.926 0.393 . . . . 0.0 111.694 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.518 ' C ' ' HG ' ' A' ' 48' ' ' SER . 2.0 pt20 -159.76 148.36 17.49 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.21 -175.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.734 ' OG ' HG23 ' A' ' 55' ' ' VAL . 59.9 m -165.19 -174.81 3.39 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 121.337 0.589 . . . . 0.0 111.729 -175.134 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -124.65 131.99 53.44 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 178.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.406 ' OD1' ' HD2' ' A' ' 19' ' ' ARG . 9.0 t30 -78.27 -62.83 1.55 Allowed 'General case' 0 C--N 1.309 -1.152 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -175.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -45.99 -55.91 7.13 Favored Glycine 0 C--N 1.339 0.715 0 CA-C-N 115.871 -0.604 . . . . 0.0 114.331 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.429 ' C ' ' HD2' ' A' ' 54' ' ' PRO . 24.7 m -92.11 146.52 32.89 Favored Pre-proline 0 C--N 1.317 -0.847 0 CA-C-O 121.6 0.714 . . . . 0.0 111.602 -178.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.523 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 9.2 Cg_endo -54.28 -38.56 88.55 Favored 'Trans proline' 0 CA--C 1.551 1.333 0 C-N-CA 124.204 3.27 . . . . 0.0 116.914 -175.095 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 11.7 Cg_endo -53.96 114.25 1.7 Allowed 'Trans proline' 0 C--N 1.368 1.583 0 C-N-CA 122.1 1.867 . . . . 0.0 114.132 -174.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.734 HG23 ' OG ' ' A' ' 48' ' ' SER . 2.3 p -118.9 127.82 75.76 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-N 115.131 -0.941 . . . . 0.0 108.858 176.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.401 ' HB3' ' O ' ' A' ' 47' ' ' GLN . 36.3 tt0 -93.17 112.95 25.04 Favored 'General case' 0 C--N 1.314 -0.975 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.615 -177.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.432 HG12 HG21 ' A' ' 28' ' ' VAL . 91.3 t -121.24 131.67 72.46 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.503 -177.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.404 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 71.5 t80 -88.66 113.42 24.2 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 175.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -91.03 111.53 23.03 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.218 -177.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -84.34 -25.58 29.09 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-O 121.226 0.536 . . . . 0.0 111.822 -170.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.9 p -69.39 -33.62 73.3 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.504 177.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.6 m -90.15 -54.36 4.06 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.489 0.662 . . . . 0.0 110.092 174.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.07 22.63 6.14 Favored Glycine 0 C--N 1.318 -0.453 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.41 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -137.35 148.91 46.62 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' A' ' 58' ' ' PHE . 2.1 m -84.97 145.62 27.64 Favored 'General case' 0 C--N 1.317 -0.827 0 O-C-N 123.487 0.492 . . . . 0.0 109.876 175.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -148.16 148.19 30.29 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 123.389 0.431 . . . . 0.0 110.322 -176.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.477 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 23.6 m-90 -95.77 116.04 28.31 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 174.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.422 ' O ' HG13 ' A' ' 55' ' ' VAL . 0.7 OUTLIER -109.41 -177.78 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 -175.388 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.668 ' O ' ' HG2' ' A' ' 72' ' ' MET . 55.3 m-70 -99.69 136.29 39.85 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 171.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.429 ' CZ3' ' HA ' ' A' ' 19' ' ' ARG . 91.0 m95 -49.22 -44.72 43.59 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -177.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.576 ' O ' ' HD2' ' A' ' 5' ' ' ARG . 1.5 p-80 -67.69 -4.44 12.17 Favored 'General case' 0 C--O 1.213 -0.85 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -172.046 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.668 ' HG2' ' O ' ' A' ' 69' ' ' HIS . 12.7 ptm -117.77 21.09 13.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 118.597 0.635 . . . . 0.0 111.393 -178.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.469 HD11 HG11 ' A' ' 55' ' ' VAL . 95.7 mt -108.56 136.38 48.25 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 122.061 -0.399 . . . . 0.0 110.715 178.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.405 ' HG3' ' NH2' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -106.84 134.39 50.06 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 177.195 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.46 ' CD1' ' HA ' ' A' ' 18' ' ' VAL . 21.3 mt -95.58 135.32 30.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.851 0.357 . . . . 0.0 111.862 -175.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.488 HD11 ' HB2' ' A' ' 29' ' ' ARG . 8.9 mp -102.16 -66.94 0.89 Allowed 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 171.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.628 ' HA2' ' HG3' ' A' ' 26' ' ' MET . . . 62.4 -156.05 39.2 Favored Glycine 0 CA--C 1.502 -0.774 0 CA-C-N 114.88 -1.054 . . . . 0.0 112.764 178.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -132.3 18.42 4.44 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 175.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -58.84 -38.7 79.31 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.523 174.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 . . . . . 0 C--N 1.323 -0.57 0 CA-C-N 114.563 -1.198 . . . . 0.0 108.62 175.383 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.494 ' HB2' ' CG ' ' A' ' 7' ' ' GLU . 66.1 mtt . . . . . 0 N--CA 1.451 -0.414 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.63 ' HD3' ' O ' ' A' ' 71' ' ' HIS . 14.7 ttm180 -53.52 -55.68 23.38 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 124.067 0.854 . . . . 0.0 112.029 -170.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.9 t -93.11 10.59 30.97 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.278 0.561 . . . . 0.0 111.907 -174.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.494 ' CG ' ' HB2' ' A' ' 4' ' ' MET . 33.2 mm-40 -93.86 11.77 28.22 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.835 -0.54 . . . . 0.0 111.957 -176.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.506 ' HB3' ' HB ' ' A' ' 13' ' ' THR . 16.3 m-85 -74.41 169.67 17.21 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 174.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -49.92 -46.04 51.66 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -173.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.9 t -117.18 10.03 13.7 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-O 121.714 0.769 . . . . 0.0 110.152 178.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.68 -58.79 3.41 Favored Glycine 0 CA--C 1.524 0.616 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.908 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -59.75 -22.06 61.57 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 123.099 0.56 . . . . 0.0 111.515 178.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.541 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 1.2 m -51.68 -30.7 22.96 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 123.393 0.677 . . . . 0.0 111.814 -176.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.402 ' O ' HG12 ' A' ' 18' ' ' VAL . 77.6 t80 -62.75 -44.94 94.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.478 0.656 . . . . 0.0 110.044 176.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.534 ' HB2' ' HB2' ' A' ' 70' ' ' TRP . . . -65.7 -34.66 78.72 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.549 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 13' ' ' THR . 4.2 pp -76.59 -26.36 54.96 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.529 0.68 . . . . 0.0 110.233 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -72.59 -53.56 11.56 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-O 121.181 0.515 . . . . 0.0 111.088 174.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.442 HG21 ' HA ' ' A' ' 15' ' ' ALA . 33.2 m -56.46 -32.24 35.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -176.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.511 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -65.84 -17.28 64.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.425 0.631 . . . . 0.0 111.402 -179.691 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -83.84 -40.01 19.22 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.897 0.856 . . . . 0.0 110.639 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.3 m -81.29 -41.28 22.38 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.901 -178.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.679 HD23 ' HB ' ' A' ' 75' ' ' ILE . 0.5 OUTLIER -83.08 98.73 9.46 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.938 0.875 . . . . 0.0 110.397 -177.791 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.563 ' HG2' ' HE2' ' A' ' 26' ' ' MET . 12.3 pt20 -90.11 161.57 37.5 Favored Pre-proline 0 C--O 1.238 0.476 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.845 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.429 ' HA ' ' CD2' ' A' ' 45' ' ' PHE . 62.0 Cg_exo -52.49 122.24 10.48 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.353 2.702 . . . . 0.0 111.811 177.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.73 -22.85 15.97 Favored Glycine 0 C--O 1.218 -0.88 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.804 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.671 ' HA ' ' HB2' ' A' ' 78' ' ' PHE . 42.1 mtt -76.09 148.97 37.52 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.139 0.495 . . . . 0.0 111.347 -177.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.503 ' HB3' HD22 ' A' ' 76' ' ' LEU . 20.8 mtt180 -82.61 159.36 22.73 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.865 0.84 . . . . 0.0 112.406 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.6 m -141.82 155.03 19.67 Favored 'Isoleucine or valine' 0 C--O 1.242 0.686 0 CA-C-N 114.538 -1.21 . . . . 0.0 111.295 -179.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -124.87 132.29 53.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.933 0.397 . . . . 0.0 110.572 175.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.613 ' HE2' ' HB3' ' A' ' 72' ' ' MET . 15.7 tpt -81.03 125.54 30.3 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.049 0.452 . . . . 0.0 111.106 -179.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.568 HD11 ' HB2' ' A' ' 74' ' ' GLU . 96.4 mt -94.1 -17.17 23.09 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -175.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -128.04 165.2 20.77 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 122.123 -0.36 . . . . 0.0 111.101 -175.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -84.83 124.23 31.35 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 174.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -146.95 92.82 2.18 Favored 'General case' 0 C--O 1.244 0.764 0 O-C-N 122.077 -0.389 . . . . 0.0 110.434 -174.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 59.74 -113.43 0.63 Allowed 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.143 178.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -75.57 -21.16 58.11 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.088 -176.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 26.2 mm -96.78 142.99 13.14 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-O 120.821 0.344 . . . . 0.0 110.315 -178.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.3 m -116.94 157.86 25.03 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.47 -178.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.31 125.75 24.9 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 176.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.21 -12.44 44.32 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.97 -0.633 . . . . 0.0 113.453 -177.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -64.85 146.77 54.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 117.528 0.664 . . . . 0.0 110.214 176.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -129.16 151.48 49.79 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 120.996 0.427 . . . . 0.0 110.269 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.41 ' O ' ' HG2' ' A' ' 27' ' ' ARG . . . -163.96 -171.35 30.1 Favored Glycine 0 N--CA 1.436 -1.357 0 C-N-CA 121.243 -0.503 . . . . 0.0 112.869 -178.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -120.43 143.83 48.27 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 110.537 -0.172 . . . . 0.0 110.537 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.429 ' CD2' ' HA ' ' A' ' 24' ' ' PRO . 56.5 t80 -86.05 115.16 23.47 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -179.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.401 ' HA ' ' NE ' ' A' ' 46' ' ' ARG . 4.0 mmp_? -83.4 -55.75 4.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.884 -177.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.8 pm0 -173.02 169.7 4.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.879 -175.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.6 p -152.25 174.29 13.96 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -118.84 106.11 12.19 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 122.436 -0.165 . . . . 0.0 111.404 -175.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.3 m120 58.19 -94.06 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 O-C-N 123.926 0.766 . . . . 0.0 112.093 175.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -153.85 40.41 0.67 Allowed Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 177.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.6 m -84.06 143.98 43.63 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 115.347 -0.427 . . . . 0.0 110.958 -176.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.468 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 35.6 Cg_exo -48.87 -46.89 23.17 Favored 'Trans proline' 0 CA--C 1.543 0.973 0 C-N-CA 123.141 2.561 . . . . 0.0 113.58 178.08 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 34.5 Cg_endo -65.59 135.82 43.71 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 121.722 1.615 . . . . 0.0 111.695 176.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.495 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 7.4 p -129.28 140.37 49.36 Favored 'Isoleucine or valine' 0 C--O 1.246 0.915 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -177.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -94.97 107.08 19.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.59 0.709 . . . . 0.0 109.828 -177.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 86.8 t -121.74 138.51 51.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.523 -176.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -93.33 112.1 23.94 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.648 174.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.49 ' CH2' ' HB2' ' A' ' 30' ' ' MET . 98.0 m95 -91.27 112.78 24.83 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -178.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.406 ' HG3' ' HA2' ' A' ' 43' ' ' GLY . 46.7 mt-10 -75.17 -31.36 60.96 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.022 -170.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.4 p -67.54 -35.1 78.41 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.83 0.824 . . . . 0.0 111.231 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.73 -50.9 7.21 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.459 0.647 . . . . 0.0 110.171 175.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.24 11.76 23.18 Favored Glycine 0 N--CA 1.44 -1.085 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.363 175.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.91 163.39 29.95 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 122.539 -0.389 . . . . 0.0 110.188 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.4 p -86.89 149.56 24.72 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.194 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -148.01 148.39 30.67 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 121.192 0.52 . . . . 0.0 109.817 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.495 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 13.4 m-90 -92.32 115.46 28.11 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 174.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.425 HG12 ' H ' ' A' ' 69' ' ' HIS . 2.2 t -113.65 179.91 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.425 ' H ' HG12 ' A' ' 68' ' ' VAL . 29.9 m-70 -102.67 136.14 43.05 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 168.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.534 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 96.1 m95 -44.47 -46.52 9.71 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -173.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.63 ' O ' ' HD3' ' A' ' 5' ' ' ARG . 3.1 p-80 -73.75 0.0 14.35 Favored 'General case' 0 C--O 1.221 -0.447 0 C-N-CA 119.813 -0.755 . . . . 0.0 113.034 -172.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.613 ' HB3' ' HE2' ' A' ' 30' ' ' MET . 15.8 mmt -84.33 -23.98 29.98 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-O 121.131 0.491 . . . . 0.0 111.694 178.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.3 pp -111.76 151.27 29.16 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-O 122.289 1.042 . . . . 0.0 111.081 -172.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.568 ' HB2' HD11 ' A' ' 31' ' ' LEU . 42.1 tt0 -99.21 139.91 34.17 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 113.85 -1.523 . . . . 0.0 108.666 175.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.679 ' HB ' HD23 ' A' ' 22' ' ' LEU . 32.2 pt -80.47 112.29 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.122 0 CA-C-O 121.139 0.495 . . . . 0.0 109.936 -178.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.503 HD22 ' HB3' ' A' ' 27' ' ' ARG . 35.2 tp -86.01 -33.01 21.17 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.403 -175.178 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.47 -176.65 29.06 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.668 174.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.671 ' HB2' ' HA ' ' A' ' 26' ' ' MET . 0.7 OUTLIER -176.24 138.34 0.32 Allowed 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 -178.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -73.73 57.36 0.58 Allowed 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 121.69 0.757 . . . . 0.0 110.406 178.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 N--CA 1.472 0.627 0 CA-C-N 114.909 -1.042 . . . . 0.0 111.991 179.858 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.597 ' HB3' ' HG2' ' A' ' 7' ' ' GLU . 25.0 ttt . . . . . 0 N--CA 1.45 -0.446 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.673 ' HG2' ' HB2' ' A' ' 71' ' ' HIS . 0.0 OUTLIER -64.37 -47.36 79.56 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.347 0.594 . . . . 0.0 111.105 -173.674 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 p -74.18 4.8 5.12 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.957 -174.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.597 ' HG2' ' HB3' ' A' ' 4' ' ' MET . 16.2 mm-40 -79.27 -20.23 48.59 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.22 0.533 . . . . 0.0 110.207 176.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.551 ' HB3' ' HB ' ' A' ' 13' ' ' THR . 52.8 m-85 -78.37 167.16 21.75 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.425 177.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.07 -45.83 61.54 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-O 121.686 0.755 . . . . 0.0 112.952 -176.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.3 t -117.31 -0.07 12.11 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 -177.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.514 ' HA2' ' O ' ' A' ' 5' ' ' ARG . . . 77.02 -55.25 3.52 Favored Glycine 0 N--CA 1.47 0.956 0 CA-C-O 121.684 0.602 . . . . 0.0 112.369 -175.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -58.58 -25.08 62.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.927 -0.637 . . . . 0.0 109.948 175.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.551 ' HB ' ' HB3' ' A' ' 8' ' ' PHE . 3.1 m -49.63 -30.84 9.59 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 124.638 1.211 . . . . 0.0 111.968 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -62.36 -54.75 35.88 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.382 0.611 . . . . 0.0 110.088 176.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.36 -29.88 71.11 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.343 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.8 tp -73.73 -38.96 64.63 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.836 -179.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -65.23 -53.04 50.34 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.65 178.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.1 m -60.59 -37.64 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.285 -176.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.405 ' HA ' ' CZ3' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -57.62 -29.0 64.18 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 122.201 0.2 . . . . 0.0 110.733 179.727 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -74.89 -52.41 11.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.884 0.373 . . . . 0.0 111.943 -178.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.2 m -83.69 -32.23 25.67 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.005 0.431 . . . . 0.0 111.744 -173.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.497 ' HA ' ' SD ' ' A' ' 26' ' ' MET . 38.9 tp -68.34 96.56 0.67 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.947 0.404 . . . . 0.0 110.822 -176.128 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -93.32 167.24 14.46 Favored Pre-proline 0 N--CA 1.441 -0.914 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.945 176.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' A' ' 45' ' ' PHE . 23.5 Cg_exo -62.81 130.88 30.89 Favored 'Trans proline' 0 C--O 1.237 0.472 0 C-N-CA 122.574 2.182 . . . . 0.0 110.896 175.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.31 -9.24 62.92 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.293 -0.956 . . . . 0.0 111.721 -178.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.632 ' HG3' ' HA2' ' A' ' 77' ' ' GLY . 52.0 ttm -83.64 132.27 34.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 122.332 -0.511 . . . . 0.0 110.231 179.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.4 mtm180 -81.13 148.78 29.44 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.26 0.552 . . . . 0.0 112.389 -176.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.449 HG22 HD21 ' A' ' 73' ' ' LEU . 30.7 m -133.24 159.21 43.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 114.465 -1.243 . . . . 0.0 110.353 -178.156 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -120.32 129.23 53.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.101 174.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.48 ' HG2' HG21 ' A' ' 37' ' ' ILE . 11.9 tpt -75.38 121.33 22.1 Favored 'General case' 0 C--N 1.315 -0.891 0 N-CA-C 109.732 -0.469 . . . . 0.0 109.732 178.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.485 HD21 ' HB2' ' A' ' 74' ' ' GLU . 97.7 mt -92.37 -9.04 43.2 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 113.261 0.838 . . . . 0.0 113.261 -174.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -147.46 155.83 42.28 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 121.431 -0.793 . . . . 0.0 110.962 -177.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.582 ' HA ' ' HA ' ' A' ' 38' ' ' SER . 20.7 t70 -87.31 130.53 34.58 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.032 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.429 ' HB2' ' HE1' ' A' ' 72' ' ' MET . 81.4 t80 -154.58 98.93 2.13 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.048 -171.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 16.9 mt-10 57.72 -1.04 0.08 Allowed 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 116.194 1.924 . . . . 0.0 116.194 166.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 35' ' ' GLU . 34.6 tt0 177.36 -42.96 0.01 OUTLIER 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 177.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.48 HG21 ' HG2' ' A' ' 30' ' ' MET . 25.9 mm -95.62 146.59 6.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.315 -178.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.582 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 49.8 m -123.03 160.69 25.8 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 120.875 0.369 . . . . 0.0 111.462 -173.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.04 124.31 20.15 Favored 'General case' 0 C--O 1.245 0.824 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.523 178.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.74 -14.47 45.79 Favored Glycine 0 C--N 1.335 0.526 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.614 -177.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.49 ' CG ' ' HB3' ' A' ' 61' ' ' SER . 6.6 t0 -64.68 140.27 58.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 122.075 -0.662 . . . . 0.0 109.329 175.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.516 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 46.3 mt-10 -110.9 145.68 37.88 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -178.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -150.16 174.65 29.52 Favored Glycine 0 N--CA 1.438 -1.188 0 C-N-CA 119.401 -1.38 . . . . 0.0 112.465 -173.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -122.68 142.36 50.77 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 24' ' ' PRO . 85.3 t80 -85.45 116.67 23.9 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -178.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.417 ' HD3' ' HA ' ' A' ' 46' ' ' ARG . 21.0 mmt180 -91.94 -53.37 4.3 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.264 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -168.91 163.45 11.56 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.974 -0.291 . . . . 0.0 110.359 -176.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.8 p -124.42 150.71 45.33 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.643 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -86.34 124.03 32.25 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 176.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -62.88 122.65 16.51 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.276 -0.874 . . . . 0.0 111.462 -170.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.43 -35.15 3.91 Favored Glycine 0 N--CA 1.44 -1.089 0 CA-C-N 115.853 -0.612 . . . . 0.0 113.416 174.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.415 ' HB ' ' HD2' ' A' ' 54' ' ' PRO . 14.7 m -104.69 156.89 35.26 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -172.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.525 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 52.3 Cg_exo -53.78 -45.99 37.01 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 123.885 3.057 . . . . 0.0 116.157 -178.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 9.1 Cg_endo -50.03 128.01 20.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 C-N-CA 122.7 2.267 . . . . 0.0 113.806 -174.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.674 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 8.0 p -128.78 138.29 54.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.359 179.083 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.513 ' NE2' ' HB ' ' A' ' 65' ' ' THR . 6.1 tp60 -98.2 110.0 22.66 Favored 'General case' 0 C--O 1.237 0.434 0 O-C-N 121.633 -0.667 . . . . 0.0 110.088 -175.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.586 HG23 HD23 ' A' ' 73' ' ' LEU . 91.3 t -123.98 132.81 70.77 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.845 -177.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -90.45 112.84 24.62 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.629 177.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.414 ' CZ3' ' HB2' ' A' ' 30' ' ' MET . 91.9 m95 -95.78 123.2 39.25 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -176.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -83.64 -25.21 30.96 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -171.221 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.49 ' HB3' ' CG ' ' A' ' 41' ' ' ASP . 22.8 t -70.94 -35.95 72.41 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.489 0.661 . . . . 0.0 109.604 -178.242 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.3 p -92.4 -39.8 11.24 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.507 0.67 . . . . 0.0 110.529 175.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.59 29.92 9.58 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.675 176.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 57.0 mtt85 -138.1 154.12 49.25 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 122.396 0.278 . . . . 0.0 110.686 -178.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.513 ' HB ' ' NE2' ' A' ' 56' ' ' GLN . 21.6 p -83.13 147.36 28.13 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 169.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -152.8 146.51 25.13 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.389 0.614 . . . . 0.0 110.439 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.674 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 24.3 m-90 -94.97 114.63 26.48 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 178.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.485 ' O ' HG11 ' A' ' 55' ' ' VAL . 1.6 t -115.06 177.22 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.852 -174.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.444 ' HB2' ' HG3' ' A' ' 72' ' ' MET . 2.2 m80 -93.26 134.63 35.27 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 172.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.405 ' CZ3' ' HA ' ' A' ' 19' ' ' ARG . 74.0 m95 -48.59 -47.58 39.71 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -177.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.673 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 2.6 p-80 -72.34 4.09 4.07 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -173.13 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.444 ' HG3' ' HB2' ' A' ' 69' ' ' HIS . 57.8 mtp -97.52 -9.0 27.91 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 122.291 -0.256 . . . . 0.0 110.751 177.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.586 HD23 HG23 ' A' ' 57' ' ' VAL . 8.0 mp -103.51 137.06 42.1 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 120.805 0.336 . . . . 0.0 110.869 -174.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.485 ' HB2' HD21 ' A' ' 31' ' ' LEU . 39.3 tt0 -95.75 134.82 38.24 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 172.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.6 tt -88.1 108.91 19.11 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 CA-C-O 122.519 1.152 . . . . 0.0 110.226 -174.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 82.3 mt -80.53 -51.64 8.54 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.092 176.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.632 ' HA2' ' HG3' ' A' ' 26' ' ' MET . . . 81.62 -124.56 6.51 Favored Glycine 0 N--CA 1.444 -0.82 0 O-C-N 124.318 1.011 . . . . 0.0 112.049 178.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -142.09 19.37 2.11 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -68.33 -17.97 64.38 Favored 'General case' 0 N--CA 1.457 -0.089 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.875 -175.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 N--CA 1.443 -0.822 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 176.092 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.582 ' HE3' ' HG3' ' A' ' 7' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.443 -0.785 0 CA-C-O 120.649 0.262 . . . . 0.0 110.95 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -65.76 -33.21 75.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 122.218 1.008 . . . . 0.0 110.975 177.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.477 ' HA ' ' HA2' ' A' ' 11' ' ' GLY . 45.9 m -80.05 13.77 2.13 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 114.291 -1.322 . . . . 0.0 111.236 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.582 ' HG3' ' HE3' ' A' ' 4' ' ' MET . 21.2 tt0 -64.98 -25.79 68.01 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.145 0.497 . . . . 0.0 111.105 -178.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 14' ' ' TYR . 76.5 m-85 -81.92 175.59 10.26 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.068 -178.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -47.55 -46.8 28.21 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 124.025 0.93 . . . . 0.0 113.188 -170.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.9 m -127.81 13.76 6.89 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-O 121.977 0.894 . . . . 0.0 110.942 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.477 ' HA2' ' HA ' ' A' ' 6' ' ' SER . . . 75.42 -64.75 2.47 Favored Glycine 0 C--N 1.334 0.439 0 CA-C-N 115.147 -0.933 . . . . 0.0 112.919 -176.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -56.81 -23.77 46.0 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.113 -0.543 . . . . 0.0 111.399 176.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 m -52.28 -30.91 30.19 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.157 179.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.467 ' HB2' ' CD1' ' A' ' 8' ' ' PHE . 61.7 t80 -65.24 -50.28 66.41 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-O 121.334 0.588 . . . . 0.0 109.932 175.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.527 ' HB1' ' HA ' ' A' ' 71' ' ' HIS . . . -59.65 -31.48 69.57 Favored 'General case' 0 N--CA 1.438 -1.044 0 C-N-CA 123.661 0.784 . . . . 0.0 110.519 176.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.6 tp -69.6 -36.05 75.85 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.508 176.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -65.87 -48.9 70.01 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.633 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 19.4 m -63.09 -42.73 97.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.416 177.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -57.94 -41.6 83.14 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.419 0.628 . . . . 0.0 111.03 177.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -56.85 -34.69 68.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.348 -176.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.427 ' HB ' HD11 ' A' ' 75' ' ' ILE . 3.2 m -109.43 -2.86 17.45 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.824 -174.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.67 HD13 ' HZ3' ' A' ' 70' ' ' TRP . 19.6 mt -81.27 100.07 8.96 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 177.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -92.08 161.5 33.07 Favored Pre-proline 0 C--N 1.309 -1.183 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.109 174.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.11 110.57 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.093 1.862 . . . . 0.0 111.787 173.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.25 -8.51 26.83 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.788 -176.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.452 ' HE3' ' CA ' ' A' ' 77' ' ' GLY . 0.4 OUTLIER -73.01 136.16 45.03 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.202 0.525 . . . . 0.0 110.099 178.656 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.472 ' HD3' ' HE1' ' A' ' 78' ' ' PHE . 48.3 ttt180 -83.2 151.23 25.77 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.287 -178.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.7 m -137.78 157.43 33.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.74 0.781 . . . . 0.0 111.054 -177.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.489 ' HB2' HD11 ' A' ' 76' ' ' LEU . 43.1 ttp180 -128.47 143.74 51.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.189 174.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 13.2 tpt -80.36 119.36 22.98 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.596 -178.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.0 mt -90.72 -27.03 19.23 Favored 'General case' 0 C--O 1.243 0.74 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -177.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.485 ' HB2' ' HB2' ' A' ' 72' ' ' MET . 1.9 m-20 -113.85 167.99 10.17 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.775 0.321 . . . . 0.0 110.54 -174.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -98.33 126.91 44.03 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.244 0.545 . . . . 0.0 110.038 177.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.411 ' HE2' ' OH ' ' A' ' 66' ' ' TYR . 31.8 t80 -120.97 178.07 4.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.791 -171.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -84.29 28.75 0.61 Allowed 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.651 -175.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -173.45 -41.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.701 0.762 . . . . 0.0 109.34 -175.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 32.5 mm -114.12 157.0 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 113.75 -1.568 . . . . 0.0 108.81 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.3 t -131.06 163.4 27.7 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -176.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.39 128.83 38.25 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-O 121.026 0.441 . . . . 0.0 110.228 -179.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.26 -18.25 42.44 Favored Glycine 0 CA--C 1.521 0.423 0 CA-C-N 115.765 -0.652 . . . . 0.0 113.322 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -62.59 138.29 58.45 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 117.206 0.503 . . . . 0.0 109.905 174.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 39.9 mt-10 -116.5 157.54 25.04 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 121.28 0.562 . . . . 0.0 110.472 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -162.64 -171.37 28.76 Favored Glycine 0 CA--C 1.505 -0.536 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.898 178.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -122.0 148.57 44.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.554 0.692 . . . . 0.0 110.151 -178.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.487 ' HE1' ' HB3' ' A' ' 48' ' ' SER . 71.5 t80 -91.49 120.27 32.16 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.125 -178.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -99.24 -50.65 4.06 Favored 'General case' 0 C--N 1.315 -0.911 0 O-C-N 121.865 -0.522 . . . . 0.0 111.535 179.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -165.49 159.71 17.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.421 0.629 . . . . 0.0 110.688 -175.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.512 ' HB3' HG23 ' A' ' 55' ' ' VAL . 17.9 p -145.79 177.82 8.63 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.637 -177.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -111.32 104.53 13.0 Favored 'General case' 0 N--CA 1.434 -1.226 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 167.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -81.46 79.12 8.13 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.954 0.883 . . . . 0.0 111.494 -170.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 167.25 -28.34 0.17 Allowed Glycine 0 N--CA 1.44 -1.088 0 N-CA-C 109.875 -1.29 . . . . 0.0 109.875 177.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.422 ' HB ' ' HD2' ' A' ' 53' ' ' PRO . 10.9 m -117.28 164.74 17.85 Favored Pre-proline 0 C--N 1.325 -0.488 0 C-N-CA 122.752 0.421 . . . . 0.0 110.761 177.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.501 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 34.6 Cg_exo -55.55 -48.29 21.18 Favored 'Trans proline' 0 CA--C 1.55 1.312 0 C-N-CA 123.63 2.887 . . . . 0.0 115.588 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 10.0 Cg_endo -52.45 116.9 3.15 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 122.128 1.885 . . . . 0.0 114.424 -173.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.512 HG23 ' HB3' ' A' ' 48' ' ' SER . 2.7 p -129.81 136.56 58.75 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.391 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.891 174.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -95.76 111.91 23.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.619 0.723 . . . . 0.0 110.862 -175.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.5 t -122.9 140.97 45.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.726 -176.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -95.49 111.07 23.04 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 174.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -83.38 113.53 20.8 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.772 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.432 ' CD ' HH21 ' A' ' 27' ' ' ARG . 12.5 pt-20 -77.82 -20.61 52.88 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.341 0.591 . . . . 0.0 110.223 -175.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.2 t -65.42 -43.5 90.33 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.737 177.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.2 m -96.58 -33.34 11.83 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.901 0.858 . . . . 0.0 110.167 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.92 23.72 24.66 Favored Glycine 0 CA--C 1.521 0.462 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.731 178.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -133.07 151.51 52.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.341 0.591 . . . . 0.0 111.296 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -81.31 138.87 35.67 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.296 -0.866 . . . . 0.0 109.538 173.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.411 ' OH ' ' HE2' ' A' ' 34' ' ' TYR . 37.7 t80 -152.1 149.51 28.88 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.442 0.163 . . . . 0.0 111.414 -177.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.505 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 22.1 m-90 -97.02 117.99 32.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.585 178.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.415 HG11 ' H ' ' A' ' 69' ' ' HIS . 1.0 OUTLIER -117.06 -179.58 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -174.32 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.507 ' HB2' ' SD ' ' A' ' 72' ' ' MET . 33.0 m-70 -103.37 136.61 42.8 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.257 0.551 . . . . 0.0 109.856 174.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.67 ' HZ3' HD13 ' A' ' 22' ' ' LEU . 99.1 m95 -52.13 -36.32 50.89 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -179.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.527 ' HA ' ' HB1' ' A' ' 15' ' ' ALA . 12.0 p80 -63.53 -14.22 48.98 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -171.291 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.507 ' SD ' ' HB2' ' A' ' 69' ' ' HIS . 0.6 OUTLIER -115.58 13.31 16.32 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.985 -176.041 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 74.0 mt -106.59 133.39 51.34 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 73.3 tt0 -100.1 135.16 41.95 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.931 176.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.427 HD11 ' HB ' ' A' ' 21' ' ' THR . 7.9 tt -76.41 124.52 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.912 177.151 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.489 HD11 ' HB2' ' A' ' 29' ' ' ARG . 89.1 mt -119.45 80.13 1.52 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.407 0.623 . . . . 0.0 109.581 172.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.452 ' CA ' ' HE3' ' A' ' 26' ' ' MET . . . -85.42 100.68 2.47 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.5 -179.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.472 ' HE1' ' HD3' ' A' ' 27' ' ' ARG . 86.5 m-85 -84.23 5.76 25.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.706 0.289 . . . . 0.0 110.709 178.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -82.13 88.86 6.44 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.069 173.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 . . . . . 0 N--CA 1.475 0.777 0 C-N-CA 124.121 0.968 . . . . 0.0 111.761 -177.736 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.446 ' HB3' ' OE1' ' A' ' 74' ' ' GLU . 0.9 OUTLIER . . . . . 0 N--CA 1.468 0.448 0 CA-C-O 120.912 0.387 . . . . 0.0 111.146 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 65.1 mtt-85 -69.1 -35.58 76.61 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.446 -175.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 m -69.48 1.28 4.13 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -171.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -74.5 -70.14 0.42 Allowed 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -175.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.449 ' CD1' ' HB2' ' A' ' 14' ' ' TYR . 39.4 m-85 53.86 -158.49 0.17 Allowed 'General case' 0 C--O 1.224 -0.279 0 O-C-N 123.609 0.568 . . . . 0.0 111.23 -176.053 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.443 ' H ' ' HB3' ' A' ' 8' ' ' PHE . . . -72.94 -47.11 48.4 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.484 174.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.3 m -133.49 1.74 3.44 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.324 0.583 . . . . 0.0 111.553 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.34 -5.25 44.87 Favored Glycine 0 CA--C 1.502 -0.721 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.617 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -70.91 -27.5 63.83 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.198 0.523 . . . . 0.0 110.807 -177.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.8 m -70.85 -35.25 72.33 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 178.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.585 ' HH ' ' HG3' ' A' ' 74' ' ' GLU . 75.1 t80 -68.43 -41.2 80.7 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.558 176.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.23 -34.04 68.17 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.009 175.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.0 tp -72.97 -42.33 63.46 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.668 176.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -62.09 -54.77 36.64 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.593 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.739 ' HB ' HD22 ' A' ' 22' ' ' LEU . 27.8 m -57.0 -29.45 31.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 112.916 0.709 . . . . 0.0 112.916 -177.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.64 -49.61 26.78 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 179.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -86.81 -22.46 25.85 Favored 'General case' 0 C--N 1.315 -0.934 0 O-C-N 122.06 -0.4 . . . . 0.0 110.836 -177.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.9 m -87.02 -25.9 24.01 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.022 0.439 . . . . 0.0 110.929 -172.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.739 HD22 ' HB ' ' A' ' 18' ' ' VAL . 3.8 mm? -78.53 100.54 6.95 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.481 0.658 . . . . 0.0 111.236 -178.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.39 137.07 20.69 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.098 172.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -49.62 101.65 0.05 OUTLIER 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 123.046 2.498 . . . . 0.0 111.796 175.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.38 -8.97 6.23 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.748 -175.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.481 ' SD ' ' HA2' ' A' ' 77' ' ' GLY . 50.3 tpp -82.41 128.59 34.39 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 179.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 43' ' ' GLY . 20.0 ttm180 -79.52 141.53 36.59 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 121.332 0.586 . . . . 0.0 112.285 -177.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.593 HG12 HG22 ' A' ' 75' ' ' ILE . 34.1 m -123.2 160.21 26.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.63 -176.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.3 ttt85 -122.7 132.68 54.37 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.565 174.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 13.5 tpt -79.62 105.13 10.7 Favored 'General case' 0 C--O 1.238 0.468 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 172.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.404 ' C ' HD22 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -95.34 -11.26 28.1 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 122.152 -0.342 . . . . 0.0 111.717 -173.852 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -118.54 139.29 51.68 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 175.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -84.39 146.84 27.46 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 122.044 -0.41 . . . . 0.0 110.908 -172.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -153.26 153.91 33.59 Favored 'General case' 0 C--O 1.209 -1.045 0 CA-C-N 115.2 -0.909 . . . . 0.0 108.821 -174.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -39.14 -71.8 0.07 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -67.11 -55.28 14.9 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 122.426 0.29 . . . . 0.0 111.325 -174.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -105.3 136.58 38.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 O-C-N 123.806 0.691 . . . . 0.0 109.645 -177.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.4 m -110.09 155.59 21.69 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.848 -168.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.28 127.26 31.24 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 176.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.65 -14.2 46.26 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.236 -0.983 . . . . 0.0 112.05 -176.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -70.82 144.3 50.83 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-O 121.698 0.761 . . . . 0.0 109.564 177.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -131.54 149.32 52.56 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 -176.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.456 ' HA2' ' HG2' ' A' ' 60' ' ' GLU . . . -166.41 -171.46 32.59 Favored Glycine 0 N--CA 1.434 -1.445 0 C-N-CA 119.402 -1.38 . . . . 0.0 112.942 -177.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -110.18 148.48 31.73 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.642 -0.279 . . . . 0.0 111.471 -178.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.563 ' CG ' HD13 ' A' ' 22' ' ' LEU . 81.4 t80 -86.81 117.92 25.86 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 176.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -90.79 -55.93 3.38 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.576 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 pm0 -172.32 168.67 5.53 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.165 0.507 . . . . 0.0 111.672 -177.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.3 m -125.67 150.05 47.95 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.824 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -85.58 105.43 16.16 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 123.268 0.355 . . . . 0.0 110.28 -178.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 46.69 -106.73 0.14 Allowed 'General case' 0 C--N 1.321 -0.632 0 O-C-N 123.848 0.717 . . . . 0.0 112.233 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -142.66 44.2 0.99 Allowed Glycine 0 N--CA 1.44 -1.044 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.294 177.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.694 ' HB ' ' HD2' ' A' ' 53' ' ' PRO . 16.2 m -116.47 174.88 2.19 Favored Pre-proline 0 C--O 1.215 -0.737 0 O-C-N 122.689 -0.301 . . . . 0.0 110.943 -178.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.694 ' HD2' ' HB ' ' A' ' 52' ' ' VAL . 33.0 Cg_exo -52.58 -50.27 14.61 Favored 'Trans proline' 0 C--N 1.356 0.967 0 C-N-CA 123.053 2.502 . . . . 0.0 114.923 178.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.491 ' HG2' HG21 ' A' ' 52' ' ' VAL . 9.5 Cg_endo -55.17 119.98 7.42 Favored 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 121.361 1.374 . . . . 0.0 113.657 -177.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.665 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 9.5 p -127.32 133.37 68.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 114.884 -1.053 . . . . 0.0 108.82 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -99.84 108.88 21.26 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-O 121.488 0.661 . . . . 0.0 110.222 -170.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.433 HG22 HD21 ' A' ' 73' ' ' LEU . 62.2 t -122.83 138.38 53.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.119 -177.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.424 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 43.6 t80 -97.77 120.77 38.75 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.436 0.636 . . . . 0.0 109.468 177.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -100.96 127.99 47.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.41 -176.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.456 ' HG2' ' HA2' ' A' ' 43' ' ' GLY . 8.6 mm-40 -70.33 -40.25 74.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.893 -170.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.8 m -67.27 -39.55 86.07 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 121.684 0.754 . . . . 0.0 111.246 -175.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.4 m -83.3 -31.25 26.98 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.598 177.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.455 ' C ' ' HD2' ' A' ' 64' ' ' ARG . . . 72.2 24.09 76.95 Favored Glycine 0 CA--C 1.524 0.643 0 O-C-N 124.426 1.079 . . . . 0.0 112.284 179.401 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.455 ' HD2' ' C ' ' A' ' 63' ' ' GLY . 8.6 mpt_? -131.8 149.23 52.53 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 115.045 -0.578 . . . . 0.0 109.88 -179.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.424 ' HA ' ' HA ' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -81.71 143.87 31.55 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 174.194 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -147.55 147.42 30.09 Favored 'General case' 0 N--CA 1.437 -1.078 0 N-CA-C 110.491 -0.189 . . . . 0.0 110.491 -174.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.665 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -96.77 114.97 26.65 Favored 'General case' 0 C--O 1.241 0.635 0 O-C-N 124.421 1.076 . . . . 0.0 109.808 177.551 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.577 HG12 ' HB2' ' A' ' 72' ' ' MET . 3.1 t -105.41 169.17 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.86 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -174.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -88.49 136.97 32.73 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 168.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -44.75 -49.49 10.57 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -172.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -73.67 2.63 7.74 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.695 -174.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.577 ' HB2' HG12 ' A' ' 68' ' ' VAL . 90.4 mmm -92.24 -18.61 23.18 Favored 'General case' 0 CA--C 1.516 -0.345 0 O-C-N 121.895 -0.503 . . . . 0.0 110.963 -179.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.433 HD21 HG22 ' A' ' 57' ' ' VAL . 3.6 pp -115.29 133.79 55.71 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.554 0.693 . . . . 0.0 110.898 -176.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.585 ' HG3' ' HH ' ' A' ' 14' ' ' TYR . 27.6 tt0 -120.06 108.13 13.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.255 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.593 HG22 HG12 ' A' ' 28' ' ' VAL . 12.4 pt -49.94 132.07 9.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 178.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 15.1 tp -103.81 -31.23 9.91 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 114.55 -1.204 . . . . 0.0 108.015 175.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.481 ' HA2' ' SD ' ' A' ' 26' ' ' MET . . . 54.35 -147.66 22.31 Favored Glycine 0 C--N 1.336 0.545 0 CA-C-N 115.698 -0.683 . . . . 0.0 113.54 173.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 99.9 m-85 -89.72 18.9 5.08 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 176.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -89.65 8.47 31.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.757 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.394 177.598 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.633 ' HB2' ' HB2' ' A' ' 7' ' ' GLU . 74.5 mtm . . . . . 0 C--O 1.237 0.399 0 CA-C-O 121.529 0.68 . . . . 0.0 110.207 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.434 HH12 ' HB2' ' A' ' 32' ' ' ASP . 24.5 ptt180 -65.46 -32.49 74.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.826 0.822 . . . . 0.0 111.078 176.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.2 m -91.39 12.77 19.46 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.013 -178.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.633 ' HB2' ' HB2' ' A' ' 4' ' ' MET . 8.4 tt0 -77.6 -24.0 49.76 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.243 0.544 . . . . 0.0 109.667 176.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -73.54 173.36 9.79 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.765 -178.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.86 -46.11 89.43 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.316 -174.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 60.5 m -115.65 -11.12 11.73 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 121.016 0.436 . . . . 0.0 111.294 179.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.61 -35.3 2.67 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.516 -0.849 . . . . 0.0 111.545 -176.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -58.88 -25.45 63.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.708 0.766 . . . . 0.0 110.818 175.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -52.74 -35.53 56.2 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.183 174.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -64.08 -50.05 69.86 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.273 178.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.442 ' HB1' ' HB2' ' A' ' 70' ' ' TRP . . . -57.57 -33.02 67.73 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.919 176.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.1 tp -73.33 -41.06 63.94 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -59.21 -53.37 59.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.881 178.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.2 m -62.43 -37.96 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 O-C-N 123.826 0.704 . . . . 0.0 111.831 -179.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.436 ' HA ' ' CZ3' ' A' ' 70' ' ' TRP . 37.0 ttm180 -52.62 -51.79 58.41 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-O 121.107 0.48 . . . . 0.0 111.838 177.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -79.32 -26.7 42.14 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -174.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.9 p -82.36 -36.13 27.13 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -176.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.456 ' HG ' HG22 ' A' ' 75' ' ' ILE . 31.8 mt -82.59 103.5 12.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 122.478 1.132 . . . . 0.0 112.665 -179.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.739 ' N ' HE21 ' A' ' 23' ' ' GLN . 0.0 OUTLIER -89.81 156.87 46.96 Favored Pre-proline 0 N--CA 1.448 -0.537 0 CA-C-N 114.165 -1.38 . . . . 0.0 110.463 172.147 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.79 122.45 11.02 Favored 'Trans proline' 0 C--O 1.237 0.46 0 C-N-CA 122.113 1.875 . . . . 0.0 111.887 175.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.82 -11.03 49.29 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.127 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.507 ' CE ' ' HA2' ' A' ' 77' ' ' GLY . 88.8 mtp -84.12 138.62 32.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.287 0.565 . . . . 0.0 110.791 178.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 -82.29 149.01 28.02 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 122.196 0.998 . . . . 0.0 111.842 -175.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.9 m -131.05 158.4 43.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 114.321 -1.309 . . . . 0.0 111.054 -171.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.466 ' HB3' ' HB3' ' A' ' 74' ' ' GLU . 43.8 ttm180 -124.26 136.54 54.21 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.573 174.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.526 ' HG2' HG22 ' A' ' 37' ' ' ILE . 11.8 tpt -79.21 108.75 12.95 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.335 0.588 . . . . 0.0 110.161 177.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.508 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 25.2 tp -90.93 -6.54 53.96 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.06 -0.973 . . . . 0.0 111.618 -173.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.548 ' HB3' ' HB2' ' A' ' 72' ' ' MET . 14.8 t70 -138.38 150.61 46.71 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 -178.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.429 ' HA ' ' HA ' ' A' ' 38' ' ' SER . 5.9 p-10 -86.36 126.8 34.61 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 175.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -151.33 99.66 2.67 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.575 0.702 . . . . 0.0 110.561 -172.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 59.46 -112.07 0.57 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-N 114.83 -1.077 . . . . 0.0 111.816 175.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -72.08 -25.96 61.97 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 122.424 0.29 . . . . 0.0 111.648 -175.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.526 HG22 ' HG2' ' A' ' 30' ' ' MET . 16.7 mm -106.92 151.45 8.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -174.218 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 34.4 m -132.9 162.65 31.04 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -177.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.64 127.78 33.34 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 121.358 0.599 . . . . 0.0 111.245 -178.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.75 -17.7 38.56 Favored Glycine 0 N--CA 1.442 -0.941 0 CA-C-N 115.175 -0.92 . . . . 0.0 112.971 -178.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -64.31 139.85 58.81 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 172.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -128.17 155.31 44.67 Favored 'General case' 0 CA--C 1.513 -0.446 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.829 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.538 ' HA2' ' HG3' ' A' ' 60' ' ' GLU . . . -163.33 -168.52 25.43 Favored Glycine 0 N--CA 1.431 -1.659 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.551 -173.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -119.88 147.27 44.91 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 121.114 0.483 . . . . 0.0 109.765 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.804 ' HZ ' ' HB3' ' A' ' 48' ' ' SER . 47.4 t80 -86.26 114.13 22.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.595 -179.05 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.412 ' HB2' ' HG2' ' A' ' 56' ' ' GLN . 3.8 mmp_? -88.55 -57.81 2.78 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.914 0.388 . . . . 0.0 111.262 -177.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -153.59 155.44 36.12 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.517 0.675 . . . . 0.0 109.735 -174.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.804 ' HB3' ' HZ ' ' A' ' 45' ' ' PHE . 9.3 p -125.63 154.29 42.52 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.219 178.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.48 153.98 25.34 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 168.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -76.44 -23.85 53.93 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -168.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -156.05 3.85 0.19 Allowed Glycine 0 N--CA 1.439 -1.135 0 C-N-CA 119.322 -1.418 . . . . 0.0 114.468 -177.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.475 ' HB ' ' HD2' ' A' ' 53' ' ' PRO . 15.8 m -116.48 158.04 44.23 Favored Pre-proline 0 C--O 1.241 0.639 0 CA-C-N 117.755 0.777 . . . . 0.0 111.485 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.527 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 4.5 Cg_endo -50.43 -42.59 47.97 Favored 'Trans proline' 0 CA--C 1.549 1.274 0 C-N-CA 123.945 3.097 . . . . 0.0 116.543 -177.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 10.3 Cg_endo -55.72 126.34 22.11 Favored 'Trans proline' 0 C--N 1.367 1.543 0 C-N-CA 121.888 1.725 . . . . 0.0 113.728 -177.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.91 HG13 HD11 ' A' ' 73' ' ' LEU . 13.6 p -130.34 140.65 48.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.247 177.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.412 ' HG2' ' HB2' ' A' ' 46' ' ' ARG . 55.3 tt0 -93.47 107.46 19.3 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -177.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.1 t -123.24 132.82 70.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 121.306 0.574 . . . . 0.0 110.391 -178.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.442 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 89.6 t80 -90.65 112.77 24.63 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 175.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -91.04 118.38 30.35 Favored 'General case' 0 C--O 1.214 -0.783 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.238 -178.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.538 ' HG3' ' HA2' ' A' ' 43' ' ' GLY . 42.2 mt-10 -70.64 -35.9 73.15 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.059 -172.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.8 p -63.07 -39.24 94.14 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.116 0.484 . . . . 0.0 111.292 -178.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.4 m -86.75 -39.64 15.77 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-O 121.391 0.615 . . . . 0.0 109.828 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.27 25.32 16.75 Favored Glycine 0 N--CA 1.44 -1.045 0 CA-C-N 114.96 -1.018 . . . . 0.0 112.41 177.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 64' ' ' ARG . 7.0 ptp85 -151.48 165.25 34.77 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 122.348 -0.501 . . . . 0.0 109.886 -179.038 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.442 ' HA ' ' HA ' ' A' ' 58' ' ' PHE . 6.4 m -91.35 149.61 21.66 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.094 0.473 . . . . 0.0 110.631 -177.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -148.99 145.9 27.54 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.594 -177.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.571 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 20.5 m-90 -94.73 114.76 26.71 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.415 ' O ' HG12 ' A' ' 55' ' ' VAL . 2.7 t -110.39 175.99 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.223 -176.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.443 ' O ' ' HG2' ' A' ' 72' ' ' MET . 30.2 m170 -108.31 146.83 32.35 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 174.032 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.522 ' HD1' ' HA ' ' A' ' 53' ' ' PRO . 92.5 m95 -55.92 -40.74 73.53 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -173.013 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -68.39 -7.87 35.31 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 -170.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.548 ' HB2' ' HB3' ' A' ' 32' ' ' ASP . 16.4 ptp -114.9 16.07 17.27 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 120.873 0.368 . . . . 0.0 111.326 178.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.91 HD11 HG13 ' A' ' 55' ' ' VAL . 92.3 mt -101.22 128.67 47.23 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-O 121.092 0.472 . . . . 0.0 112.077 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.476 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . 8.5 tp10 -107.01 134.92 49.44 Favored 'General case' 0 N--CA 1.437 -1.115 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 173.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.456 HG22 ' HG ' ' A' ' 22' ' ' LEU . 25.9 pt -96.04 134.56 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.917 0 CA-C-O 121.464 0.649 . . . . 0.0 111.445 -173.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.0 mt -114.03 1.31 14.61 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.868 178.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.507 ' HA2' ' CE ' ' A' ' 26' ' ' MET . . . 65.78 -117.13 9.41 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 119.969 -1.11 . . . . 0.0 111.702 -175.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -107.97 -38.52 5.79 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 172.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 57.73 19.47 5.6 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.003 173.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 . . . . . 0 C--N 1.327 -0.386 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 -178.371 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 90.1 mtp . . . . . 0 N--CA 1.442 -0.836 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -55.54 -34.31 64.59 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -173.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 m -81.04 12.17 3.55 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -178.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -58.41 -47.89 82.44 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.782 0.801 . . . . 0.0 110.183 178.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -81.9 161.35 23.15 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.192 175.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.8 -32.12 72.39 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.736 -174.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.1 m -105.67 -25.18 12.35 Favored 'General case' 0 C--N 1.314 -0.959 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.914 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.62 -45.8 3.33 Favored Glycine 0 CA--C 1.517 0.183 0 C-N-CA 120.632 -0.794 . . . . 0.0 111.549 -176.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -56.84 -22.05 33.69 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.54 0.686 . . . . 0.0 110.593 172.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.5 m -50.95 -30.28 14.47 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.548 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -59.97 -55.82 29.29 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 174.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.97 -32.24 69.47 Favored 'General case' 0 N--CA 1.453 -0.275 0 O-C-N 124.766 1.291 . . . . 0.0 111.926 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.9 tp -73.33 -42.96 61.68 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 121.842 0.83 . . . . 0.0 110.621 -177.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -64.07 -54.32 35.92 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 114.819 -1.082 . . . . 0.0 111.656 176.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.512 ' O ' ' HB3' ' A' ' 22' ' ' LEU . 35.0 m -60.97 -43.62 96.39 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.809 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.687 -176.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.499 ' HB2' ' CZ3' ' A' ' 70' ' ' TRP . 76.2 ttt180 -56.93 -30.45 64.01 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 118.46 0.573 . . . . 0.0 112.365 178.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -80.82 -53.23 6.66 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.4 -177.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.7 m -86.55 -38.86 16.76 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -172.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.851 HD13 HG12 ' A' ' 75' ' ' ILE . 58.1 tp -72.56 96.62 1.98 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.761 0.791 . . . . 0.0 110.656 -175.025 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -82.54 153.73 68.25 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.845 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -56.35 116.17 2.99 Favored 'Trans proline' 0 CA--C 1.532 0.385 0 C-N-CA 123.091 2.528 . . . . 0.0 111.396 173.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.08 -13.8 16.58 Favored Glycine 0 N--CA 1.439 -1.113 0 C-N-CA 120.881 -0.675 . . . . 0.0 111.783 -175.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.461 ' HB2' HD11 ' A' ' 22' ' ' LEU . 47.4 mtt -79.31 141.17 37.24 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.415 0.626 . . . . 0.0 110.318 176.238 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.494 ' O ' ' HB2' ' A' ' 76' ' ' LEU . 44.5 ttt180 -79.75 147.22 31.96 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.709 -178.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.5 m -129.03 157.07 41.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.986 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.403 ' HB2' HD21 ' A' ' 76' ' ' LEU . 39.5 ttm180 -126.68 132.47 51.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.157 -178.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.53 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 14.8 tpt -87.16 128.42 35.13 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.752 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.422 HD23 ' HG2' ' A' ' 74' ' ' GLU . 0.4 OUTLIER -115.18 14.57 16.99 Favored 'General case' 0 C--N 1.311 -1.074 0 C-N-CA 120.509 -0.476 . . . . 0.0 111.396 -179.854 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -140.1 156.28 46.64 Favored 'General case' 0 C--O 1.248 0.999 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.142 -178.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -95.51 123.42 39.04 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -159.2 102.71 1.61 Allowed 'General case' 0 C--O 1.235 0.338 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -175.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 73.53 -26.22 0.19 Allowed 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 159.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -175.53 -38.5 0.01 OUTLIER 'General case' 0 C--N 1.311 -1.093 0 CA-C-O 121.354 0.597 . . . . 0.0 109.699 -169.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.447 HG23 ' HG2' ' A' ' 30' ' ' MET . 15.9 mm -95.54 146.72 6.61 Favored 'Isoleucine or valine' 0 C--O 1.245 0.838 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.253 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.9 m -123.72 167.29 14.21 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.923 0.392 . . . . 0.0 110.308 -176.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.03 125.95 27.95 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.264 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.2 -16.49 42.04 Favored Glycine 0 C--O 1.225 -0.463 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.08 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -73.98 153.05 39.9 Favored 'General case' 0 C--O 1.213 -0.867 0 CA-C-O 121.209 0.528 . . . . 0.0 109.798 176.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.474 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 41.8 mt-10 -131.65 161.48 32.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.645 -177.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -162.68 -171.6 29.08 Favored Glycine 0 N--CA 1.453 -0.205 0 CA-C-N 114.854 -1.067 . . . . 0.0 111.528 178.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -116.02 142.12 47.21 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 117.004 0.402 . . . . 0.0 110.409 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -88.3 124.34 33.8 Favored 'General case' 0 C--N 1.315 -0.932 0 O-C-N 124.011 0.82 . . . . 0.0 110.635 -178.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -106.51 -55.05 2.38 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -148.21 152.8 37.84 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.423 -0.511 . . . . 0.0 112.076 -169.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.491 ' HB3' ' CH2' ' A' ' 70' ' ' TRP . 42.5 m -126.72 155.0 43.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.853 172.27 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -84.2 179.38 7.49 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 175.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -62.01 -62.74 1.57 Allowed 'General case' 0 CA--C 1.53 0.185 0 O-C-N 123.433 0.458 . . . . 0.0 111.112 -174.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -153.62 29.36 0.76 Allowed Glycine 0 C--O 1.241 0.546 0 C-N-CA 119.509 -1.329 . . . . 0.0 112.979 -176.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.455 ' HB ' ' HD2' ' A' ' 53' ' ' PRO . 15.6 m -107.37 162.15 20.71 Favored Pre-proline 0 N--CA 1.451 -0.425 0 CA-C-N 117.268 0.534 . . . . 0.0 111.372 178.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.455 ' HD2' ' HB ' ' A' ' 52' ' ' VAL . 31.3 Cg_exo -52.05 -44.96 42.0 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.87 2.38 . . . . 0.0 115.068 179.112 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -54.7 130.49 40.63 Favored 'Trans proline' 0 CA--C 1.546 1.106 0 C-N-CA 121.932 1.754 . . . . 0.0 113.675 -178.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.589 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 14.9 p -130.65 136.84 57.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.053 -0.976 . . . . 0.0 108.968 173.294 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -98.0 109.35 22.12 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.569 0.7 . . . . 0.0 110.724 -171.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 96.9 t -121.05 138.68 50.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.428 -177.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -92.72 109.63 21.06 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 176.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.53 ' CH2' ' HB2' ' A' ' 30' ' ' MET . 99.8 m95 -89.37 117.28 28.19 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 -176.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 10.7 pt-20 -72.33 -19.62 61.62 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.003 -0.998 . . . . 0.0 110.015 -176.15 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.5 t -67.59 -45.77 74.53 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.47 178.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.5 m -93.85 -25.86 17.16 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.738 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.71 28.06 55.66 Favored Glycine 0 N--CA 1.437 -1.239 0 N-CA-C 111.975 -0.45 . . . . 0.0 111.975 -176.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -136.0 156.23 49.05 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.375 -0.413 . . . . 0.0 111.613 -175.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 p -83.49 136.06 34.43 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 121.435 0.636 . . . . 0.0 109.573 171.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.42 ' HB3' ' CD1' ' A' ' 59' ' ' TRP . 44.3 t80 -141.56 147.12 37.18 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.582 -175.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.589 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 32.6 m-90 -98.29 115.5 28.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 123.545 0.528 . . . . 0.0 110.288 176.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.509 ' O ' HG11 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -114.48 -178.41 1.07 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.701 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -177.743 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.66 ' O ' ' HG2' ' A' ' 72' ' ' MET . 27.8 m170 -98.43 136.43 38.58 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 120.27 -0.572 . . . . 0.0 109.981 172.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.499 ' CZ3' ' HB2' ' A' ' 19' ' ' ARG . 25.9 m95 -45.25 -51.85 10.29 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.384 0.674 . . . . 0.0 112.57 178.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 27.7 p80 -72.27 -6.21 41.44 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -170.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.66 ' HG2' ' O ' ' A' ' 69' ' ' HIS . 15.5 ptm -107.71 19.45 20.12 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 121.623 -0.673 . . . . 0.0 110.99 -176.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 70' ' ' TRP . 4.2 pp -136.29 154.76 50.79 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 120.437 -0.505 . . . . 0.0 111.332 178.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.422 ' HG2' HD23 ' A' ' 31' ' ' LEU . 4.5 mm-40 -101.66 140.33 36.09 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.953 178.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.851 HG12 HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -94.77 121.12 45.08 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 CA-C-O 122.074 0.94 . . . . 0.0 109.925 178.793 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.494 ' HB2' ' O ' ' A' ' 27' ' ' ARG . 4.4 mm? -95.48 -56.01 2.84 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.241 177.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.412 ' HA2' ' SD ' ' A' ' 26' ' ' MET . . . 86.96 -120.97 5.63 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.046 -1.074 . . . . 0.0 111.816 -177.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -138.25 -94.22 0.19 Allowed 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 123.382 0.673 . . . . 0.0 110.224 176.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 65.75 -63.46 0.22 Allowed 'General case' 0 C--N 1.35 0.608 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 175.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 . . . . . 0 N--CA 1.452 -0.374 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.509 179.186 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.59 ' HE2' ' HA ' ' A' ' 72' ' ' MET . 88.3 mtp . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.49 ' HD2' ' H ' ' A' ' 5' ' ' ARG . 4.3 mpt_? -65.26 -28.69 69.52 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.696 0.76 . . . . 0.0 109.708 174.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.418 ' C ' ' H ' ' A' ' 8' ' ' PHE . 1.6 m -71.1 13.58 0.2 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.844 0.858 . . . . 0.0 112.075 -177.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.4 ' H ' ' C ' ' A' ' 5' ' ' ARG . 11.5 pt-20 -72.73 18.42 0.1 Allowed 'General case' 0 C--O 1.238 0.465 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -177.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.418 ' H ' ' C ' ' A' ' 6' ' ' SER . 95.3 m-85 -58.72 -178.18 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.868 0.366 . . . . 0.0 111.308 176.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -46.7 -47.39 20.44 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -175.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.2 t -132.57 9.92 4.34 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 174.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.17 8.54 79.35 Favored Glycine 0 N--CA 1.441 -1.022 0 C-N-CA 120.541 -0.837 . . . . 0.0 111.768 -174.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -68.86 -43.39 75.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 119.201 -0.428 . . . . 0.0 111.67 -172.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.3 m -51.3 -42.41 61.16 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 118.461 0.573 . . . . 0.0 111.513 177.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.458 ' OH ' HD11 ' A' ' 31' ' ' LEU . 36.5 t80 -66.79 -49.17 66.72 Favored 'General case' 0 C--O 1.245 0.816 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.307 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.713 ' O ' ' HG3' ' A' ' 19' ' ' ARG . . . -55.0 -38.96 68.55 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.852 0.72 . . . . 0.0 112.059 175.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.4 tp -66.76 -46.3 75.83 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 121.61 0.719 . . . . 0.0 110.595 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -58.76 -53.94 52.65 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.702 -1.135 . . . . 0.0 110.733 -178.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.0 m -60.75 -42.27 91.52 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 CA-C-N 115.756 -0.657 . . . . 0.0 112.378 -174.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.713 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 47.9 mtm180 -55.35 -41.68 72.83 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 121.266 0.555 . . . . 0.0 111.836 179.2 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -83.57 -45.11 13.9 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.57 -175.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.3 m -81.32 -33.56 32.43 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -172.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.804 HD12 HG13 ' A' ' 28' ' ' VAL . 2.3 tt -95.26 95.46 8.52 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.612 0.72 . . . . 0.0 109.457 -175.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -91.72 158.3 40.39 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.559 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -51.06 123.22 11.4 Favored 'Trans proline' 0 C--O 1.24 0.614 0 C-N-CA 123.0 2.466 . . . . 0.0 111.57 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.79 -27.1 8.06 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.129 -176.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.625 ' SD ' ' HA2' ' A' ' 77' ' ' GLY . 16.3 mmt -73.21 137.79 45.23 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 178.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.543 ' HG3' ' O ' ' A' ' 43' ' ' GLY . 36.1 ttm180 -75.37 147.53 39.96 Favored 'General case' 0 C--O 1.242 0.696 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.861 173.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.804 HG13 HD12 ' A' ' 22' ' ' LEU . 20.9 m -122.79 156.18 28.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 O-C-N 123.424 0.452 . . . . 0.0 110.155 -176.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -126.31 139.88 52.96 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.334 0.588 . . . . 0.0 110.09 170.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.436 ' HE1' ' SD ' ' A' ' 72' ' ' MET . 12.9 tpt -84.95 122.83 29.76 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.053 -177.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.763 HD22 ' HB2' ' A' ' 74' ' ' GLU . 75.9 mt -79.32 -39.47 32.73 Favored 'General case' 0 C--O 1.243 0.712 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -175.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -129.36 159.85 34.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.51 -173.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.422 ' HA ' ' HA ' ' A' ' 38' ' ' SER . 12.0 m-20 -78.78 125.24 29.1 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -151.05 100.87 2.83 Favored 'General case' 0 C--N 1.311 -1.068 0 C-N-CA 119.722 -0.791 . . . . 0.0 112.317 -169.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 69.27 -26.11 0.15 Allowed 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 163.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -167.48 -40.13 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.449 0.642 . . . . 0.0 109.856 -169.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 29.5 mm -101.66 153.17 5.13 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.206 0 CA-C-N 113.908 -1.496 . . . . 0.0 108.534 -175.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.422 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 0.4 OUTLIER -121.07 164.36 16.92 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.298 -177.328 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.93 130.37 44.47 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.92 -17.15 42.2 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 120.238 -0.982 . . . . 0.0 112.505 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -71.96 155.25 40.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.499 0.666 . . . . 0.0 110.391 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -137.36 160.05 40.2 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.348 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.543 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -162.27 -170.72 27.45 Favored Glycine 0 N--CA 1.443 -0.877 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.382 -177.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -119.88 140.85 50.2 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 117.697 0.749 . . . . 0.0 109.925 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.465 ' CD2' HD23 ' A' ' 22' ' ' LEU . 5.8 t80 -86.62 121.81 29.65 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -175.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 42.2 mtp85 -104.92 -57.07 2.08 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 120.416 -0.514 . . . . 0.0 111.462 -178.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -147.41 150.03 33.88 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.452 0.644 . . . . 0.0 111.237 -168.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 53.0 p -117.23 128.58 55.23 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 171.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -83.01 106.02 14.48 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.534 -0.467 . . . . 0.0 111.275 -169.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.522 ' N ' HD21 ' A' ' 50' ' ' ASN . 0.8 OUTLIER 72.66 -39.6 0.45 Allowed 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.832 171.106 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 126.64 58.04 0.14 Allowed Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 119.934 -1.127 . . . . 0.0 111.297 -175.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.629 ' HB ' ' HD2' ' A' ' 53' ' ' PRO . 3.9 m -151.8 167.14 13.72 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -175.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.656 ' HA ' ' HD1' ' A' ' 70' ' ' TRP . 3.7 Cg_exo -40.33 -48.97 4.05 Favored 'Trans proline' 0 CA--C 1.548 1.18 0 C-N-CA 124.024 3.15 . . . . 0.0 115.707 178.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.519 ' HG2' HG21 ' A' ' 52' ' ' VAL . 15.4 Cg_endo -60.3 126.88 21.25 Favored 'Trans proline' 0 C--N 1.361 1.207 0 C-N-CA 121.592 1.528 . . . . 0.0 113.045 177.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.611 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 7.6 p -130.64 141.05 47.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.936 -176.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.537 ' OE1' ' HB ' ' A' ' 65' ' ' THR . 6.1 tp-100 -95.91 107.98 20.3 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 120.934 0.397 . . . . 0.0 110.089 -177.051 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.1 t -121.37 133.22 68.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.908 -177.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -89.26 118.14 28.74 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 174.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -91.07 112.77 24.81 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.306 -176.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.41 ' HG3' ' HA2' ' A' ' 43' ' ' GLY . 34.5 mt-10 -68.7 -36.99 79.19 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.336 0.588 . . . . 0.0 110.735 -176.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.5 t -61.43 -39.32 90.38 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.658 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.9 m -90.07 -54.58 3.97 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 121.239 0.543 . . . . 0.0 111.517 -178.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.37 20.83 6.82 Favored Glycine 0 N--CA 1.441 -1.007 0 CA-C-N 115.195 -0.912 . . . . 0.0 112.265 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -141.66 160.96 39.09 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.36 0.6 . . . . 0.0 110.299 -178.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.537 ' HB ' ' OE1' ' A' ' 56' ' ' GLN . 12.3 p -86.56 156.59 20.0 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.196 171.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -159.12 146.47 17.35 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.611 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 13.3 m-90 -89.5 114.61 26.15 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 177.156 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.4 t -111.87 -155.02 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.966 -174.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 22.3 m80 -138.8 135.33 34.51 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 -172.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.656 ' HD1' ' HA ' ' A' ' 53' ' ' PRO . 96.9 m95 -51.54 -48.67 62.96 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -179.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -70.89 -0.04 8.32 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -171.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.59 ' HA ' ' HE2' ' A' ' 4' ' ' MET . 16.5 ptp -122.31 14.61 10.46 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.079 0.854 . . . . 0.0 112.925 179.169 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.0 mt -112.3 134.67 53.71 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-O 120.617 0.246 . . . . 0.0 110.612 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.763 ' HB2' HD22 ' A' ' 31' ' ' LEU . 77.7 tt0 -94.12 130.43 40.31 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 176.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.489 HG12 ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -78.6 118.16 25.33 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 CA-C-O 121.486 0.66 . . . . 0.0 109.427 176.585 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 24.1 tp -108.73 -53.92 2.58 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.404 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.625 ' HA2' ' SD ' ' A' ' 26' ' ' MET . . . 102.05 -135.29 12.15 Favored Glycine 0 CA--C 1.503 -0.698 0 C-N-CA 120.631 -0.795 . . . . 0.0 111.6 179.137 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -166.65 -36.69 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 177.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.411 ' H ' ' CD ' ' A' ' 79' ' ' GLU . 1.7 mp0 -65.6 -37.17 85.86 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.527 0.68 . . . . 0.0 109.394 178.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 . . . . . 0 C--N 1.317 -0.821 0 O-C-N 122.051 -0.405 . . . . 0.0 111.505 -176.815 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.444 -0.752 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.41 ' HG2' ' O ' ' A' ' 71' ' ' HIS . 19.2 tpt180 -56.51 -27.63 57.84 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 123.767 0.667 . . . . 0.0 111.794 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 m -79.83 12.76 2.48 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 116.242 -0.436 . . . . 0.0 112.092 -177.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -74.72 7.27 3.18 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -71.77 177.36 4.23 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 119.476 -0.297 . . . . 0.0 111.116 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -46.95 -48.5 21.48 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 124.127 0.892 . . . . 0.0 112.984 -169.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.7 t -128.57 18.31 6.32 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-O 121.187 0.518 . . . . 0.0 110.022 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.49 -59.95 2.42 Favored Glycine 0 C--N 1.336 0.528 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.282 -178.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -62.37 -25.54 67.97 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 122.469 0.307 . . . . 0.0 111.056 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 m -51.2 -31.88 21.86 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 121.137 0.494 . . . . 0.0 112.082 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.473 ' CD2' ' HA ' ' A' ' 71' ' ' HIS . 61.5 t80 -66.2 -50.11 64.99 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.11 179.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.67 -32.75 69.4 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.99 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.0 tp -73.59 -46.25 48.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.634 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -59.29 -53.05 62.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.774 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.5 m -61.59 -40.35 86.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.56 177.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.6 ttt180 -57.76 -47.16 83.27 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.387 0.613 . . . . 0.0 111.945 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -74.73 -20.47 59.82 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.252 -0.885 . . . . 0.0 112.18 -175.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 m -99.78 -29.6 12.53 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.63 0.729 . . . . 0.0 111.468 -176.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.435 HD13 HG13 ' A' ' 75' ' ' ILE . 32.6 tp -79.03 105.86 10.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.547 -176.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -86.14 151.07 53.69 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.195 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -55.68 126.26 21.87 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 122.752 2.301 . . . . 0.0 111.522 176.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.78 -17.67 38.52 Favored Glycine 0 C--N 1.314 -0.693 0 O-C-N 124.063 0.852 . . . . 0.0 112.613 -177.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 41.9 mtt -71.04 144.95 50.21 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.077 0.465 . . . . 0.0 111.096 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -83.79 143.02 30.24 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.081 176.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.3 m -126.98 158.91 37.63 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.729 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -129.47 136.87 50.43 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-O 121.068 0.461 . . . . 0.0 112.094 173.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.447 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . 10.3 tpt -71.74 130.97 42.42 Favored 'General case' 0 CA--C 1.5 -0.967 0 CA-C-N 115.006 -0.997 . . . . 0.0 108.994 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.7 tp -113.37 -20.98 11.13 Favored 'General case' 0 N--CA 1.435 -1.186 0 O-C-N 124.341 1.026 . . . . 0.0 109.978 -171.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.513 ' HB3' ' HB2' ' A' ' 72' ' ' MET . 27.8 t70 -114.16 150.04 34.79 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.052 178.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -95.19 144.15 26.03 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.164 0.507 . . . . 0.0 110.396 -177.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -158.67 155.5 28.25 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.31 -174.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -48.17 -42.42 29.62 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.455 ' HG3' ' CE1' ' A' ' 66' ' ' TYR . 39.0 mm-40 -77.07 -62.15 1.75 Allowed 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 120.861 0.362 . . . . 0.0 111.549 -178.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 32.4 mm -116.78 149.96 18.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.45 -175.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.6 m -122.75 151.54 41.5 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -172.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.17 135.47 57.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.091 0.472 . . . . 0.0 110.745 -176.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.16 -18.51 45.56 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.388 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -68.67 139.25 55.43 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 177.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.661 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 48.1 mt-10 -112.43 148.28 34.69 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.177 -178.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -152.28 176.87 30.37 Favored Glycine 0 CA--C 1.495 -1.193 0 C-N-CA 119.694 -1.241 . . . . 0.0 112.59 -177.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -108.26 143.32 37.26 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -89.72 115.27 26.95 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 175.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -100.12 -53.8 3.05 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 123.718 0.636 . . . . 0.0 110.684 -176.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.486 ' O ' ' HB3' ' A' ' 56' ' ' GLN . 5.0 pp0? -170.99 165.14 7.6 Favored 'General case' 0 C--N 1.316 -0.882 0 O-C-N 124.382 1.051 . . . . 0.0 109.397 -178.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.543 ' OG ' HG23 ' A' ' 55' ' ' VAL . 53.0 m -153.98 -176.86 6.05 Favored 'General case' 0 CA--C 1.508 -0.645 0 O-C-N 121.356 -0.84 . . . . 0.0 111.615 178.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.519 HD21 ' N ' ' A' ' 49' ' ' ASN . 0.8 OUTLIER -88.25 107.72 18.94 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 106.039 -1.837 . . . . 0.0 106.039 172.787 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -76.37 69.41 2.85 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.87 -163.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 163.27 -2.39 0.06 OUTLIER Glycine 0 CA--C 1.528 0.875 0 CA-C-N 115.586 -0.734 . . . . 0.0 113.655 174.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.727 ' HB ' ' HD2' ' A' ' 53' ' ' PRO . 10.7 m -135.37 166.66 27.14 Favored Pre-proline 0 C--O 1.238 0.494 0 O-C-N 122.355 -0.497 . . . . 0.0 111.332 -179.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.727 ' HD2' ' HB ' ' A' ' 52' ' ' VAL . 6.4 Cg_endo -48.24 -43.82 30.55 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 124.225 3.283 . . . . 0.0 117.119 -178.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 12.4 Cg_endo -55.42 116.4 3.12 Favored 'Trans proline' 0 C--N 1.367 1.52 0 C-N-CA 121.779 1.653 . . . . 0.0 113.643 -176.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.543 HG23 ' OG ' ' A' ' 48' ' ' SER . 7.7 p -119.57 128.28 75.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.693 174.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.486 ' HB3' ' O ' ' A' ' 47' ' ' GLN . 6.4 tp60 -95.02 110.63 22.52 Favored 'General case' 0 C--O 1.24 0.565 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -176.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.6 t -123.74 140.93 45.73 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.11 -173.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -94.87 110.39 22.28 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 174.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.447 ' CZ3' ' HB2' ' A' ' 30' ' ' MET . 89.4 m95 -94.71 125.65 39.51 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.777 -175.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.661 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 11.7 pt-20 -71.14 -44.13 66.17 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -171.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.5 m -63.76 -41.52 97.98 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.836 0.827 . . . . 0.0 111.349 -175.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.8 m -81.84 -23.04 36.65 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 122.24 1.019 . . . . 0.0 109.853 176.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 61.27 33.93 86.27 Favored Glycine 0 CA--C 1.51 -0.276 0 CA-C-N 114.898 -1.046 . . . . 0.0 111.729 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.8 mtp85 -139.02 151.44 46.81 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 123.541 0.736 . . . . 0.0 111.194 -177.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.7 p -84.27 144.47 28.88 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.612 0.72 . . . . 0.0 110.134 171.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.455 ' CE1' ' HG3' ' A' ' 36' ' ' GLU . 59.2 t80 -152.36 144.46 23.84 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -177.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.47 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 13.3 m-90 -90.91 114.5 26.98 Favored 'General case' 0 C--O 1.242 0.681 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 177.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -111.47 179.69 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.209 -176.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.612 ' O ' ' HG2' ' A' ' 72' ' ' MET . 17.4 m-70 -102.63 136.27 42.76 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 121.461 -0.775 . . . . 0.0 109.663 173.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.429 ' HD1' ' HA ' ' A' ' 53' ' ' PRO . 94.7 m95 -51.1 -38.21 50.42 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -176.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.473 ' HA ' ' CD2' ' A' ' 14' ' ' TYR . 27.1 p80 -67.91 -14.97 63.39 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -170.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.612 ' HG2' ' O ' ' A' ' 69' ' ' HIS . 9.9 ptm -107.64 13.46 26.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 121.817 -0.552 . . . . 0.0 111.379 -175.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.8 mp -114.33 137.65 51.54 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.199 0.523 . . . . 0.0 110.866 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -96.96 130.73 44.24 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 174.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.435 HG13 HD13 ' A' ' 22' ' ' LEU . 10.5 tt -89.22 126.48 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.345 -175.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 63.2 mt -101.27 -71.36 0.71 Allowed 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.742 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 138.49 -140.18 10.87 Favored Glycine 0 C--N 1.313 -0.714 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 -176.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -132.77 81.95 1.97 Allowed 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 117.544 0.672 . . . . 0.0 110.747 176.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 72.33 -58.84 0.58 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.016 178.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 . . . . . 0 C--N 1.325 -0.457 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 175.466 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.829 ' HE2' ' HB2' ' A' ' 6' ' ' SER . 46.2 ttp . . . . . 0 N--CA 1.448 -0.571 0 CA-C-O 120.726 0.298 . . . . 0.0 110.242 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.542 ' O ' ' HD2' ' A' ' 8' ' ' PHE . 36.0 ttp-105 -60.22 -30.32 69.32 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.538 0.685 . . . . 0.0 111.88 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.829 ' HB2' ' HE2' ' A' ' 4' ' ' MET . 12.5 m -78.29 0.67 24.45 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.232 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.426 ' HG3' ' HB3' ' A' ' 4' ' ' MET . 50.1 mt-10 -88.62 -5.59 58.06 Favored 'General case' 0 C--N 1.316 -0.863 0 O-C-N 122.167 -0.333 . . . . 0.0 111.682 178.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.542 ' HD2' ' O ' ' A' ' 5' ' ' ARG . 62.5 m-85 -66.63 167.57 10.81 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 175.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.89 -45.52 41.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.463 0.649 . . . . 0.0 111.27 -176.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.9 p -132.54 -0.17 3.58 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.849 178.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.65 -43.64 3.19 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 119.957 -1.116 . . . . 0.0 111.486 -172.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -58.83 -24.54 62.13 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 114.96 -0.62 . . . . 0.0 110.87 175.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 m -53.89 -30.04 44.25 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 123.383 0.673 . . . . 0.0 111.066 179.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.697 ' HH ' ' HA ' ' A' ' 74' ' ' GLU . 81.7 t80 -67.56 -45.91 74.24 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.183 176.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.501 ' HB3' ' HB2' ' A' ' 70' ' ' TRP . . . -60.3 -31.43 70.25 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.871 175.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.5 tp -70.77 -36.23 72.97 Favored 'General case' 0 N--CA 1.434 -1.244 0 CA-C-O 121.447 0.641 . . . . 0.0 110.157 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -64.86 -52.19 57.98 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.596 -1.184 . . . . 0.0 110.859 178.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.3 m -63.52 -34.21 66.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.488 ' HA ' ' CZ3' ' A' ' 70' ' ' TRP . 0.2 OUTLIER -54.13 -43.93 70.9 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.84 0.352 . . . . 0.0 110.196 173.456 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -77.56 -55.25 5.52 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.482 -175.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.4 m -89.36 -33.47 16.87 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -167.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.694 HD13 HG12 ' A' ' 28' ' ' VAL . 2.2 tt -79.34 98.4 6.69 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -176.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -93.76 162.63 26.67 Favored Pre-proline 0 N--CA 1.445 -0.684 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.078 -176.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.29 121.67 10.34 Favored 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 123.399 2.733 . . . . 0.0 111.621 174.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.29 -26.01 8.93 Favored Glycine 0 N--CA 1.439 -1.118 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -176.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 39.8 mtt -77.89 134.75 37.86 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.217 0.532 . . . . 0.0 111.1 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.589 ' HG3' ' O ' ' A' ' 43' ' ' GLY . 38.1 ttm180 -67.94 148.43 51.1 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.627 176.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.694 HG12 HD13 ' A' ' 22' ' ' LEU . 27.1 m -126.22 154.0 35.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.713 -178.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.729 ' HB3' ' HB3' ' A' ' 74' ' ' GLU . 43.4 ttm180 -120.39 124.59 45.88 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.985 177.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.539 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 12.3 tpt -78.03 119.16 21.08 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.258 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.685 HD13 ' HB2' ' A' ' 74' ' ' GLU . 93.0 mt -101.03 16.76 24.3 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 -175.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -161.55 151.58 17.07 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 121.731 -0.605 . . . . 0.0 110.735 -176.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.527 ' HA ' ' HA ' ' A' ' 38' ' ' SER . 12.0 t70 -89.9 126.43 35.71 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 176.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -153.49 103.75 2.68 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -170.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 69.99 -15.18 0.34 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.314 1.446 . . . . 0.0 114.297 166.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.532 ' HG3' HG12 ' A' ' 37' ' ' ILE . 9.8 pt-20 172.8 -31.38 0.0 OUTLIER 'General case' 0 C--O 1.24 0.594 0 CA-C-O 121.435 0.636 . . . . 0.0 110.655 -175.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.532 HG12 ' HG3' ' A' ' 36' ' ' GLU . 36.1 mm -95.48 151.76 3.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 -179.214 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.527 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 47.2 p -124.65 167.79 14.05 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 118.673 0.67 . . . . 0.0 110.609 -175.478 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.09 128.19 35.11 Favored 'General case' 0 N--CA 1.427 -1.58 0 CA-C-O 121.473 0.654 . . . . 0.0 109.384 178.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.72 -13.6 46.23 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.894 -177.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -66.48 130.31 42.77 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 172.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -116.39 147.82 41.27 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.634 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.589 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -154.33 -170.42 20.18 Favored Glycine 0 C--N 1.308 -0.982 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.959 -171.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -125.73 147.82 49.25 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 117.551 0.676 . . . . 0.0 109.824 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -94.07 121.75 35.87 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -175.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.416 ' HB2' ' OE1' ' A' ' 47' ' ' GLN . 20.8 mtm180 -108.61 -47.61 3.46 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.202 -0.599 . . . . 0.0 112.413 -175.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.578 ' HG2' ' HB3' ' A' ' 56' ' ' GLN . 0.5 OUTLIER -157.21 160.45 38.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.994 0.426 . . . . 0.0 111.613 -174.636 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.4 m -129.28 153.76 47.49 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.947 175.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.474 HD21 ' N ' ' A' ' 49' ' ' ASN . 0.8 OUTLIER -90.16 105.49 17.84 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 175.085 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.418 ' CG ' ' H ' ' A' ' 51' ' ' GLY . 7.5 p30 34.08 -97.71 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.463 1.105 . . . . 0.0 113.72 -176.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.418 ' H ' ' CG ' ' A' ' 50' ' ' ASN . . . -142.01 42.62 1.13 Allowed Glycine 0 CA--C 1.506 -0.495 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.575 ' HB ' ' HD2' ' A' ' 53' ' ' PRO . 23.1 m -118.86 166.65 13.59 Favored Pre-proline 0 C--N 1.322 -0.608 0 O-C-N 123.727 0.31 . . . . 0.0 111.261 -178.292 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.575 ' HD2' ' HB ' ' A' ' 52' ' ' VAL . 33.9 Cg_exo -51.05 -52.08 9.85 Favored 'Trans proline' 0 CA--C 1.536 0.581 0 C-N-CA 122.805 2.336 . . . . 0.0 114.273 -179.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 10.5 Cg_endo -54.62 115.22 2.25 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 122.093 1.862 . . . . 0.0 113.54 -176.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.715 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 11.7 p -129.57 139.57 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.953 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.658 177.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.578 ' HB3' ' HG2' ' A' ' 47' ' ' GLN . 18.9 tp60 -96.36 109.23 21.79 Favored 'General case' 0 C--O 1.254 1.302 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.332 -175.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.49 HG21 HD21 ' A' ' 73' ' ' LEU . 96.3 t -118.77 136.11 57.03 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 -178.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -95.21 115.5 27.51 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 175.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.539 ' CH2' ' HB2' ' A' ' 30' ' ' MET . 95.2 m95 -87.1 113.29 22.71 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -177.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.525 ' HG3' ' HA2' ' A' ' 43' ' ' GLY . 41.9 mt-10 -70.2 -38.34 75.28 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.356 0.598 . . . . 0.0 110.609 -172.327 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.7 p -66.03 -35.07 79.55 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.544 -178.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.69 -53.36 4.45 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 121.471 0.653 . . . . 0.0 110.465 179.389 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.41 16.05 12.78 Favored Glycine 0 N--CA 1.438 -1.173 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.457 179.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.6 mtm-85 -130.37 154.49 47.63 Favored 'General case' 0 CA--C 1.515 -0.367 0 O-C-N 122.524 -0.398 . . . . 0.0 110.612 -178.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.426 ' HB ' ' NE2' ' A' ' 56' ' ' GLN . 6.5 p -87.11 149.06 24.94 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 121.767 0.794 . . . . 0.0 110.83 171.176 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -150.68 145.44 25.83 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.492 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.715 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 4.7 m-90 -88.95 114.82 25.99 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 174.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.481 ' O ' HG11 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -112.2 178.21 1.4 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.123 -175.131 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.539 ' HB2' ' SD ' ' A' ' 72' ' ' MET . 38.0 m170 -103.69 135.93 44.33 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.449 174.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.501 ' HB2' ' HB3' ' A' ' 15' ' ' ALA . 63.7 m95 -49.46 -44.77 45.96 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -174.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -65.84 -9.04 25.35 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -172.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.539 ' SD ' ' HB2' ' A' ' 69' ' ' HIS . 2.9 ptm -109.66 9.36 25.03 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.561 0.696 . . . . 0.0 111.585 -177.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.49 HD21 HG21 ' A' ' 57' ' ' VAL . 10.8 mp -108.93 135.98 49.22 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.889 178.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.729 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . 30.6 tt0 -103.47 141.56 35.77 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 173.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.633 HG12 ' H ' ' A' ' 77' ' ' GLY . 6.8 tt -91.21 131.02 39.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 120.981 0.42 . . . . 0.0 111.814 -174.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.54 HD12 ' HB2' ' A' ' 29' ' ' ARG . 8.6 mp -109.85 42.08 1.58 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 176.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.633 ' H ' HG12 ' A' ' 75' ' ' ILE . . . -83.13 66.95 3.84 Favored Glycine 0 N--CA 1.448 -0.558 0 O-C-N 124.179 0.924 . . . . 0.0 111.399 -178.275 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 43.8 p90 44.69 33.77 1.02 Allowed 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.262 1.025 . . . . 0.0 113.316 177.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -96.63 -38.76 9.81 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 175.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 . . . . . 0 C--N 1.32 -0.69 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 175.464 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 36.2 ttm . . . . . 0 N--CA 1.449 -0.519 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 5' ' ' ARG . 0.7 OUTLIER -59.6 -28.18 66.94 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 175.511 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.8 m -75.64 10.51 1.71 Allowed 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.305 -177.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -72.3 -20.37 61.52 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 173.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.596 ' HB3' ' HB ' ' A' ' 13' ' ' THR . 67.5 m-85 -72.34 162.86 28.89 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 173.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.19 -46.9 65.76 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -175.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.3 p -128.98 7.66 5.57 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.11 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.99 -49.97 3.59 Favored Glycine 0 C--O 1.217 -0.955 0 C-N-CA 119.762 -1.209 . . . . 0.0 111.515 -174.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -63.89 -22.34 66.87 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 175.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.596 ' HB ' ' HB3' ' A' ' 8' ' ' PHE . 1.1 m -52.15 -26.79 12.25 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 173.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.466 ' O ' HG11 ' A' ' 18' ' ' VAL . 65.5 t80 -65.78 -50.05 66.12 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 173.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.96 -32.49 61.55 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 111.323 173.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.2 tp -73.26 -41.91 63.13 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.071 177.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -61.13 -49.06 78.78 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.632 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.566 HG22 ' CG2' ' A' ' 75' ' ' ILE . 2.5 p -62.21 -42.67 96.11 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.205 178.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.565 ' HD3' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -65.67 -37.08 85.5 Favored 'General case' 0 C--O 1.246 0.904 0 CA-C-O 120.566 0.222 . . . . 0.0 110.428 177.61 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -70.3 -28.5 65.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.134 0.492 . . . . 0.0 111.478 -178.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.2 m -90.32 -39.96 12.4 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.567 -176.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.47 HD21 ' HA ' ' A' ' 22' ' ' LEU . 16.8 mt -69.84 103.59 2.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 122.49 1.138 . . . . 0.0 112.249 -175.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.416 HE21 ' HB3' ' A' ' 23' ' ' GLN . 13.4 mm100 -79.75 142.92 57.5 Favored Pre-proline 0 N--CA 1.44 -0.948 0 CA-C-N 114.408 -1.269 . . . . 0.0 109.864 171.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -50.58 107.92 0.19 Allowed 'Trans proline' 0 C--O 1.238 0.525 0 C-N-CA 123.313 2.675 . . . . 0.0 112.132 175.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.42 -16.11 9.85 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.142 -175.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.534 ' HB3' ' HA2' ' A' ' 77' ' ' GLY . 46.9 mtt -68.77 143.17 54.73 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 120.725 0.297 . . . . 0.0 111.462 177.027 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.698 ' HG3' ' O ' ' A' ' 43' ' ' GLY . 10.2 ttm180 -85.05 148.03 26.36 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.277 0.56 . . . . 0.0 110.561 -178.328 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.7 m -129.1 155.15 40.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.977 0.894 . . . . 0.0 110.548 -176.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.448 ' HB3' ' HB3' ' A' ' 74' ' ' GLU . 51.4 ttt-85 -121.1 137.45 54.66 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.449 176.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.523 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . 12.7 tpt -85.52 118.48 25.07 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 123.067 0.547 . . . . 0.0 110.03 -179.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.51 HD13 ' HB2' ' A' ' 74' ' ' GLU . 89.7 mt -93.22 -18.12 22.88 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -177.101 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -122.09 153.83 38.16 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.543 -0.169 . . . . 0.0 110.543 -171.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -100.39 121.8 42.1 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 175.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -160.95 108.51 1.52 Allowed 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 113.086 0.772 . . . . 0.0 113.086 -167.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 67.44 -23.72 0.12 Allowed 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 163.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -169.07 -47.23 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 122.521 1.153 . . . . 0.0 110.053 -168.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.485 ' HB ' ' HE2' ' A' ' 30' ' ' MET . 20.5 mm -99.34 151.42 4.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.801 -175.502 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.8 m -114.9 159.72 20.36 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -175.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.56 132.07 45.66 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.81 -11.14 52.95 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.212 -177.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -70.13 150.92 46.03 Favored 'General case' 0 N--CA 1.442 -0.871 0 O-C-N 121.729 -0.865 . . . . 0.0 111.357 175.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -123.11 143.9 49.68 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -177.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.698 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -149.9 -177.05 23.57 Favored Glycine 0 C--N 1.311 -0.853 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 -176.187 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -130.5 145.68 51.9 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 117.199 0.499 . . . . 0.0 109.866 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -87.32 118.48 26.78 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 120.843 0.354 . . . . 0.0 110.55 -175.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.9 mtp180 -91.27 -56.67 3.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.014 177.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 178.86 170.77 0.86 Allowed 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.754 -176.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.536 ' OG ' ' HA2' ' A' ' 51' ' ' GLY . 27.7 p -122.7 159.95 26.87 Favored 'General case' 0 C--N 1.314 -0.937 0 O-C-N 123.506 0.504 . . . . 0.0 110.613 178.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.514 ' C ' ' H ' ' A' ' 51' ' ' GLY . 32.1 m-80 -80.78 111.98 17.73 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 65.41 -9.22 0.24 Allowed 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 124.028 0.931 . . . . 0.0 112.59 -175.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.536 ' HA2' ' OG ' ' A' ' 48' ' ' SER . . . 92.26 26.07 19.59 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.101 -1.047 . . . . 0.0 111.528 176.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 1.051 ' HB ' ' HD2' ' A' ' 53' ' ' PRO . 4.3 m -118.66 -170.78 0.19 Allowed Pre-proline 0 C--N 1.316 -0.855 0 CA-C-N 117.424 0.612 . . . . 0.0 109.558 -178.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 1.051 ' HD2' ' HB ' ' A' ' 52' ' ' VAL . 6.8 Cg_exo -35.11 -50.68 0.79 Allowed 'Trans proline' 0 CA--C 1.56 1.778 0 C-N-CA 123.879 3.053 . . . . 0.0 115.278 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.516 ' HD2' HG21 ' A' ' 52' ' ' VAL . 13.9 Cg_endo -58.57 105.47 0.22 Allowed 'Trans proline' 0 C--N 1.365 1.428 0 C-N-CA 121.877 1.718 . . . . 0.0 112.569 175.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.562 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 6.9 p -122.04 136.42 58.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.098 -174.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -101.09 112.06 24.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.529 0.68 . . . . 0.0 110.463 -176.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.1 t -121.73 133.37 68.38 Favored 'Isoleucine or valine' 0 C--O 1.248 1.02 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.731 -176.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -97.59 129.98 44.66 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 174.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.523 ' CZ3' ' HB2' ' A' ' 30' ' ' MET . 95.1 m95 -98.61 120.72 39.52 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.682 -0.235 . . . . 0.0 110.912 -172.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -61.0 -52.48 64.83 Favored 'General case' 0 C--N 1.313 -1.018 0 C-N-CA 123.422 0.689 . . . . 0.0 111.452 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.0 p -64.23 -38.16 90.06 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.328 -0.851 . . . . 0.0 112.77 -176.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.5 m -88.24 -54.87 3.99 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 121.275 0.56 . . . . 0.0 111.051 -177.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.93 20.74 12.12 Favored Glycine 0 C--N 1.322 -0.199 0 CA-C-O 121.827 0.682 . . . . 0.0 112.463 176.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -131.86 144.27 50.76 Favored 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 122.336 -0.508 . . . . 0.0 109.704 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -80.38 142.3 34.53 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 110.474 -0.195 . . . . 0.0 110.474 175.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -148.94 147.24 28.4 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 123.318 0.386 . . . . 0.0 110.762 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.562 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 10.6 m0 -89.17 114.47 25.77 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 174.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -106.47 -156.7 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.366 -173.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.819 ' HB2' ' SD ' ' A' ' 72' ' ' MET . 52.6 m80 -138.75 132.71 31.15 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 -173.013 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.666 ' HD1' ' HA ' ' A' ' 53' ' ' PRO . 98.5 m95 -57.8 -39.01 76.54 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -174.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.447 ' HD2' ' HB3' ' A' ' 69' ' ' HIS . 3.1 p80 -62.77 -19.33 63.89 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -175.103 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.819 ' SD ' ' HB2' ' A' ' 69' ' ' HIS . 5.9 ptm -109.7 6.62 23.84 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-O 121.333 0.587 . . . . 0.0 112.21 -173.31 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.4 mt -103.22 130.71 50.52 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.086 -178.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.51 ' HB2' HD13 ' A' ' 31' ' ' LEU . 37.0 tt0 -101.2 131.74 47.04 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 175.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.566 ' CG2' HG22 ' A' ' 18' ' ' VAL . 39.5 pt -88.29 124.56 41.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 C-N-CA 119.909 -0.716 . . . . 0.0 111.297 -173.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.7 mt -104.13 -29.47 10.84 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 176.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.534 ' HA2' ' HB3' ' A' ' 26' ' ' MET . . . 61.29 -114.44 6.69 Favored Glycine 0 CA--C 1.501 -0.783 0 N-CA-C 110.373 -1.091 . . . . 0.0 110.373 -177.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -107.55 132.59 53.1 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 169.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -49.72 -30.54 9.49 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -172.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 . . . . . 0 C--N 1.318 -0.799 0 O-C-N 122.033 -0.417 . . . . 0.0 111.11 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.523 ' HG2' ' H ' ' A' ' 6' ' ' SER . 23.7 ttt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.415 ' O ' ' HD1' ' A' ' 8' ' ' PHE . 4.7 tmm_? -62.09 -28.82 69.89 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.796 0.807 . . . . 0.0 110.55 177.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.523 ' H ' ' HG2' ' A' ' 4' ' ' MET . 23.8 m -82.01 13.3 3.44 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -178.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -74.78 -9.22 58.35 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.65 -0.656 . . . . 0.0 111.08 175.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.415 ' HD1' ' O ' ' A' ' 5' ' ' ARG . 78.3 m-85 -76.63 179.9 5.71 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.522 177.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -49.49 -48.67 47.73 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -171.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.1 m -134.36 10.14 3.77 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.246 0.546 . . . . 0.0 110.094 176.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.419 ' HA2' ' HA ' ' A' ' 6' ' ' SER . . . 81.53 -52.74 4.6 Favored Glycine 0 C--O 1.223 -0.563 0 O-C-N 121.552 -0.717 . . . . 0.0 112.034 -177.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -70.04 -25.29 63.49 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 122.877 0.471 . . . . 0.0 110.454 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.1 m -53.26 -32.42 48.4 Favored 'General case' 0 C--O 1.244 0.815 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.24 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -62.88 -40.06 96.38 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-O 120.991 0.424 . . . . 0.0 110.408 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.501 ' HB3' ' HA ' ' A' ' 71' ' ' HIS . . . -63.35 -31.27 72.38 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 123.079 0.552 . . . . 0.0 110.694 178.447 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.7 tp -69.23 -43.27 74.36 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -59.99 -54.1 50.03 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.453 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.599 HG11 HG22 ' A' ' 75' ' ' ILE . 35.9 m -67.4 -49.4 71.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -178.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.412 ' N ' HG21 ' A' ' 18' ' ' VAL . 57.6 ttt180 -57.96 -37.77 74.78 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -175.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -72.99 -33.23 65.68 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-O 120.71 0.291 . . . . 0.0 111.575 -178.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.4 m -100.51 -24.17 14.53 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -169.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.4 tp -65.55 103.91 0.92 Allowed 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.093 0.473 . . . . 0.0 110.939 -174.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -94.41 148.36 34.87 Favored Pre-proline 0 N--CA 1.445 -0.697 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.35 176.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -52.0 115.41 2.13 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 123.059 2.506 . . . . 0.0 111.252 174.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.6 -8.23 19.88 Favored Glycine 0 C--N 1.334 0.427 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -178.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 61.4 mtt -84.42 136.08 34.0 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.478 0.656 . . . . 0.0 111.16 174.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.7 mtt180 -68.89 160.55 30.48 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 122.114 0.959 . . . . 0.0 110.813 174.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.405 HG21 HG11 ' A' ' 57' ' ' VAL . 24.2 m -134.66 150.97 30.76 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.155 0 CA-C-N 114.787 -1.097 . . . . 0.0 109.835 177.159 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.465 ' HB3' ' HB3' ' A' ' 74' ' ' GLU . 40.4 ttt180 -124.66 127.48 47.38 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.945 177.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.653 ' HE3' ' SD ' ' A' ' 72' ' ' MET . 13.4 tpt -77.93 122.45 25.52 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.453 HD13 ' HB2' ' A' ' 74' ' ' GLU . 83.2 mt -110.12 -4.17 15.97 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-O 121.268 0.556 . . . . 0.0 112.197 -178.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -121.9 -176.74 3.4 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.853 -177.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -121.02 121.62 38.35 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.327 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -150.7 104.52 3.2 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.318 0.58 . . . . 0.0 111.425 -175.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 55.84 -112.25 0.69 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.363 174.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -81.51 -14.74 56.59 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.762 -175.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.518 HG22 ' HG2' ' A' ' 30' ' ' MET . 10.5 mm -104.33 149.79 7.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.2 t -143.5 169.48 17.62 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 -177.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.37 131.36 50.54 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 121.349 0.595 . . . . 0.0 112.254 -173.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.93 -16.23 43.32 Favored Glycine 0 C--N 1.313 -0.727 0 CA-C-N 114.929 -1.032 . . . . 0.0 112.712 174.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -66.51 148.11 52.34 Favored 'General case' 0 C--O 1.248 0.985 0 CA-C-N 117.127 0.463 . . . . 0.0 110.145 178.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -127.58 147.91 50.35 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 120.9 0.381 . . . . 0.0 110.328 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -148.42 174.55 28.06 Favored Glycine 0 N--CA 1.433 -1.508 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.879 -177.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -105.41 140.29 38.74 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 177.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.524 ' HE1' ' HB3' ' A' ' 48' ' ' SER . 68.9 t80 -95.87 117.49 30.68 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 122.054 -0.404 . . . . 0.0 110.396 -178.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -105.98 -47.14 3.93 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.977 -176.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -158.84 156.62 29.99 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.489 -178.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.532 ' HB3' HG21 ' A' ' 55' ' ' VAL . 72.4 p -141.11 170.81 15.02 Favored 'General case' 0 C--N 1.312 -1.033 0 O-C-N 122.051 -0.405 . . . . 0.0 110.781 177.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -91.13 109.53 20.79 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 170.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -76.15 31.48 0.12 Allowed 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -173.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -164.09 -31.62 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 111.871 -0.492 . . . . 0.0 111.871 -178.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.671 HG11 ' HD2' ' A' ' 54' ' ' PRO . 2.2 t -105.86 143.9 27.81 Favored Pre-proline 0 N--CA 1.469 0.516 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 176.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.561 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 51.0 Cg_exo -46.46 -40.94 23.35 Favored 'Trans proline' 0 CA--C 1.545 1.058 0 C-N-CA 123.781 2.987 . . . . 0.0 116.489 -179.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.671 ' HD2' HG11 ' A' ' 52' ' ' VAL . 9.6 Cg_endo -53.91 130.85 41.3 Favored 'Trans proline' 0 C--N 1.368 1.576 0 C-N-CA 122.609 2.206 . . . . 0.0 113.562 -177.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.568 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 6.4 p -127.94 137.59 57.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 114.338 -1.301 . . . . 0.0 109.456 178.355 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -94.74 108.22 20.22 Favored 'General case' 0 N--CA 1.441 -0.893 0 O-C-N 121.599 -0.688 . . . . 0.0 110.43 -174.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.405 HG11 HG21 ' A' ' 28' ' ' VAL . 92.1 t -121.53 137.21 55.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.04 -177.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.4 ' HD2' HG23 ' A' ' 65' ' ' THR . 41.7 t80 -92.54 109.88 21.29 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 173.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.427 ' CH2' ' HB2' ' A' ' 30' ' ' MET . 99.2 m95 -80.38 114.0 18.96 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.473 -176.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -58.99 -47.17 86.16 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.021 0.825 . . . . 0.0 110.558 -177.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 m -57.23 -40.43 77.55 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.876 -176.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.8 m -87.83 -46.22 9.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.869 0.842 . . . . 0.0 111.515 -177.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.19 20.05 24.26 Favored Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.814 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 64' ' ' ARG . 4.8 mpt_? -135.37 160.94 36.86 Favored 'General case' 0 C--O 1.238 0.481 0 O-C-N 121.969 -0.724 . . . . 0.0 110.605 -179.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.4 HG23 ' HD2' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -88.8 144.11 26.45 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.302 0.572 . . . . 0.0 110.36 173.75 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -149.53 145.1 26.67 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.142 -173.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.568 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 16.9 m-90 -92.41 116.17 28.74 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 177.067 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.478 ' O ' HG12 ' A' ' 55' ' ' VAL . 2.0 t -111.29 175.34 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.672 -179.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.596 ' O ' ' HG2' ' A' ' 72' ' ' MET . 34.9 m-70 -100.02 137.59 38.26 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.849 -0.532 . . . . 0.0 110.139 173.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -47.26 -48.81 24.5 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -178.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.501 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 23.8 p80 -65.21 -4.79 5.57 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 -169.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.653 ' SD ' ' HE3' ' A' ' 30' ' ' MET . 17.1 ptp -113.56 5.7 16.71 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 118.645 0.657 . . . . 0.0 112.242 -178.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 91.4 mt -111.55 141.03 45.65 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.582 0.706 . . . . 0.0 111.514 -177.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.465 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . 40.1 tt0 -102.41 139.87 37.44 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.223 174.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.599 HG22 HG11 ' A' ' 18' ' ' VAL . 5.6 tt -81.75 122.05 36.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 179.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.1 tt -114.15 78.34 1.14 Allowed 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -86.91 161.62 33.39 Favored Glycine 0 N--CA 1.44 -1.092 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.253 -177.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -112.09 20.83 16.5 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 177.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -88.75 98.48 11.73 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.081 -176.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 . . . . . 0 CA--C 1.532 0.257 0 CA-C-N 114.79 -1.096 . . . . 0.0 110.95 179.655 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.762 ' HA ' ' HE3' ' A' ' 4' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.225 0 N-CA-C 111.352 0.13 . . . . 0.0 111.352 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.577 ' HD2' ' O ' ' A' ' 71' ' ' HIS . 32.4 mtm-85 -62.88 -27.63 69.49 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 123.726 0.641 . . . . 0.0 110.997 179.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.519 ' H ' ' HG3' ' A' ' 4' ' ' MET . 10.2 m -67.93 -2.05 6.78 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 178.215 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.475 ' HG3' ' HB3' ' A' ' 4' ' ' MET . 42.6 mt-10 -77.01 -3.31 38.38 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 122.275 -0.265 . . . . 0.0 111.65 -176.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.463 ' HB3' ' HB ' ' A' ' 13' ' ' THR . 42.4 m-85 -67.98 176.34 2.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.887 0.375 . . . . 0.0 110.709 176.325 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.05 -46.78 61.79 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.977 -175.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.4 m -123.64 9.19 8.93 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.311 0.577 . . . . 0.0 111.438 178.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.74 -61.65 2.86 Favored Glycine 0 CA--C 1.522 0.471 0 C-N-CA 120.316 -0.945 . . . . 0.0 112.063 -176.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -57.74 -20.78 37.14 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 124.293 0.643 . . . . 0.0 110.549 175.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.463 ' HB ' ' HB3' ' A' ' 8' ' ' PHE . 21.6 m -49.24 -33.72 13.34 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.788 0.835 . . . . 0.0 111.617 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -69.82 -52.51 24.42 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.403 178.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.568 ' O ' ' HG3' ' A' ' 19' ' ' ARG . . . -59.49 -28.99 67.52 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.214 0.531 . . . . 0.0 111.609 177.155 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.4 tp -73.18 -43.62 61.13 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.941 0.877 . . . . 0.0 109.62 175.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -59.97 -44.61 94.35 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.38 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.444 HG23 ' HA ' ' A' ' 15' ' ' ALA . 32.9 m -61.93 -44.05 98.35 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.935 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.568 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 69.9 mtp180 -62.19 -30.29 70.97 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.042 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -63.34 -52.66 60.89 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.018 -177.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.482 ' HB ' HD12 ' A' ' 75' ' ' ILE . 9.1 m -92.58 -33.02 14.6 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.891 -174.123 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.539 HD21 ' CG ' ' A' ' 26' ' ' MET . 0.3 OUTLIER -78.71 100.49 7.09 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 121.288 0.566 . . . . 0.0 110.6 -175.235 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.429 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 13.2 pt20 -104.3 169.37 7.32 Favored Pre-proline 0 C--N 1.313 -0.996 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.775 178.392 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.429 ' HD2' ' HB2' ' A' ' 23' ' ' GLN . 50.1 Cg_exo -54.39 128.54 30.5 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.302 2.001 . . . . 0.0 111.674 174.167 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.97 -10.66 70.08 Favored Glycine 0 CA--C 1.508 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.336 -178.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.63 ' SD ' ' HA2' ' A' ' 77' ' ' GLY . 49.5 tpp -80.65 138.48 36.4 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 121.425 0.631 . . . . 0.0 110.224 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.3 ttp85 -81.6 142.19 33.01 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.05 -177.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.497 HG12 HD22 ' A' ' 22' ' ' LEU . 28.4 m -124.75 160.74 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-O 121.655 0.741 . . . . 0.0 110.715 -175.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.889 ' HB2' HD22 ' A' ' 76' ' ' LEU . 14.8 ttt180 -125.92 135.07 51.46 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.424 174.205 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.485 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 12.7 tpt -79.71 121.44 25.34 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.834 -0.166 . . . . 0.0 110.669 -178.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.464 HD22 ' HB2' ' A' ' 74' ' ' GLU . 87.9 mt -84.37 -22.04 30.65 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -136.06 160.73 37.75 Favored 'General case' 0 C--O 1.215 -0.733 0 C-N-CA 120.097 -0.641 . . . . 0.0 110.674 -170.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -91.33 129.22 37.34 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 176.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -153.96 98.88 2.21 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 -171.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.865 ' HB2' ' HH ' ' A' ' 66' ' ' TYR . 42.6 mt-10 63.43 -12.3 0.09 Allowed 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 115.321 1.6 . . . . 0.0 115.321 167.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -177.17 -40.32 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.275 0 O-C-N 121.585 -0.697 . . . . 0.0 109.832 -174.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.459 HG21 ' HG2' ' A' ' 30' ' ' MET . 31.0 mm -98.15 150.19 4.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -177.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.5 m -122.74 162.76 21.42 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.357 -177.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.16 128.27 35.32 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.502 177.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.26 -18.1 39.55 Favored Glycine 0 CA--C 1.503 -0.671 0 C-N-CA 120.382 -0.914 . . . . 0.0 112.814 -179.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -66.99 141.93 57.42 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -119.53 149.77 41.36 Favored 'General case' 0 N--CA 1.444 -0.76 0 O-C-N 123.705 0.628 . . . . 0.0 110.631 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -158.85 -171.95 25.33 Favored Glycine 0 N--CA 1.439 -1.146 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -177.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -122.45 146.49 47.32 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.605 ' HE1' ' HB3' ' A' ' 48' ' ' SER . 61.5 t80 -92.31 124.1 36.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.838 178.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -106.71 -55.63 2.3 Favored 'General case' 0 C--N 1.315 -0.931 0 O-C-N 123.709 0.631 . . . . 0.0 112.102 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -149.5 148.56 29.55 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-O 121.252 0.549 . . . . 0.0 110.742 -172.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.605 ' HB3' ' HE1' ' A' ' 45' ' ' PHE . 28.5 p -140.12 171.7 13.81 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.65 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -90.08 145.04 25.36 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 170.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -72.69 -18.73 61.52 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -168.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -147.24 5.5 1.04 Allowed Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 119.25 -1.452 . . . . 0.0 115.059 -174.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.499 ' HB ' ' HD2' ' A' ' 53' ' ' PRO . 16.3 m -125.98 163.35 40.11 Favored Pre-proline 0 CA--C 1.534 0.356 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.642 179.175 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.517 ' HA ' ' HD1' ' A' ' 70' ' ' TRP . 41.2 Cg_exo -52.19 -45.49 38.9 Favored 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 124.156 3.237 . . . . 0.0 115.979 -178.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.409 ' HD2' HG22 ' A' ' 52' ' ' VAL . 83.8 Cg_exo -47.79 116.38 1.87 Allowed 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.789 2.326 . . . . 0.0 114.012 -176.185 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.554 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 5.6 p -130.14 133.92 63.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 123.771 0.669 . . . . 0.0 109.842 178.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -98.05 111.7 23.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.22 0.534 . . . . 0.0 110.16 -173.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.5 t -120.68 139.03 49.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.697 -176.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -91.21 114.03 26.45 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 174.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.485 ' CH2' ' HB2' ' A' ' 30' ' ' MET . 96.3 m95 -95.55 117.87 31.22 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.679 -178.446 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -76.56 -37.25 56.9 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.577 -171.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.18 -32.34 73.98 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.931 -175.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.2 p -95.51 -46.76 6.53 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.394 175.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 104.08 20.83 10.05 Favored Glycine 0 C--O 1.225 -0.426 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.703 176.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -129.69 148.48 51.58 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 117.053 0.427 . . . . 0.0 111.094 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.8 p -79.2 137.83 37.59 Favored 'General case' 0 C--O 1.249 1.028 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.48 171.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.865 ' HH ' ' HB2' ' A' ' 35' ' ' GLU . 82.7 t80 -144.99 141.34 28.86 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-O 120.463 0.173 . . . . 0.0 111.165 -174.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.554 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 27.9 m-90 -90.0 115.45 27.3 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 178.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.3 t -106.38 -154.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 123.4 0.68 . . . . 0.0 109.476 -176.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.685 ' HB2' ' HG3' ' A' ' 72' ' ' MET . 46.2 m-70 -136.46 133.9 37.08 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 105.448 -2.056 . . . . 0.0 105.448 -176.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.517 ' HD1' ' HA ' ' A' ' 53' ' ' PRO . 97.6 m95 -43.55 -51.85 6.56 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -176.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.577 ' O ' ' HD2' ' A' ' 5' ' ' ARG . 1.8 p-80 -76.75 1.21 17.88 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -174.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.685 ' HG3' ' HB2' ' A' ' 69' ' ' HIS . 53.6 mtp -95.63 -8.05 35.94 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.557 -0.715 . . . . 0.0 109.67 177.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.1 mt -101.07 136.92 40.15 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.554 -175.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.464 ' HB2' HD22 ' A' ' 31' ' ' LEU . 43.9 tt0 -108.13 138.24 44.73 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 173.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.506 HG22 HD23 ' A' ' 22' ' ' LEU . 36.8 pt -98.27 130.61 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.898 0 CA-C-O 121.075 0.464 . . . . 0.0 111.309 -174.489 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.889 HD22 ' HB2' ' A' ' 29' ' ' ARG . 2.6 mm? -96.14 -73.59 0.59 Allowed 'General case' 0 C--O 1.24 0.562 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 172.65 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.63 ' HA2' ' SD ' ' A' ' 26' ' ' MET . . . 118.4 117.03 2.74 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 111.767 -0.533 . . . . 0.0 111.767 -179.116 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -63.02 -30.33 71.52 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-O 121.781 0.8 . . . . 0.0 110.076 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -97.79 1.09 47.95 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.673 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.404 ' HB2' ' HA3' ' A' ' 77' ' ' GLY . 1.6 tm-20 . . . . . 0 C--N 1.324 -0.509 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.6 ' HB2' ' HB2' ' A' ' 7' ' ' GLU . 5.1 mpp? . . . . . 0 N--CA 1.473 0.706 0 CA-C-O 121.814 0.816 . . . . 0.0 111.306 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.608 ' HD3' ' H ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -57.87 -43.84 86.23 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.439 178.866 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.422 ' HA ' ' HA2' ' A' ' 11' ' ' GLY . 65.1 m -91.77 11.72 23.74 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 123.221 0.326 . . . . 0.0 111.295 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.6 ' HB2' ' HB2' ' A' ' 4' ' ' MET . 36.7 tt0 -79.12 -21.42 46.61 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 174.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.448 ' CE1' ' HD1' ' A' ' 14' ' ' TYR . 55.3 m-85 -67.61 178.91 1.49 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.966 175.167 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.62 -47.16 73.76 Favored 'General case' 0 C--O 1.241 0.635 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -176.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.9 t -128.19 -1.21 5.76 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -177.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.568 ' HA2' ' O ' ' A' ' 5' ' ' ARG . . . 85.36 -45.45 3.5 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.535 -0.84 . . . . 0.0 111.908 -176.178 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -56.4 -25.07 48.75 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 114.872 -0.664 . . . . 0.0 110.676 174.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.601 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -59.95 -31.63 70.04 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.932 0.872 . . . . 0.0 111.503 179.6 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.448 ' HD1' ' CE1' ' A' ' 8' ' ' PHE . 77.8 t80 -69.94 -37.5 75.89 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.087 177.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.491 ' HB3' ' HB2' ' A' ' 70' ' ' TRP . . . -62.63 -38.84 91.8 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 123.497 0.719 . . . . 0.0 111.231 177.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 13' ' ' THR . 3.7 pp -74.74 -28.71 60.89 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-O 121.67 0.747 . . . . 0.0 110.244 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -64.47 -53.77 43.07 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.132 176.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.4 m -69.44 -31.75 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.902 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.273 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 47.0 ttp180 -50.4 -54.13 24.15 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 122.925 0.49 . . . . 0.0 110.751 176.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -75.77 -11.97 60.09 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.572 -175.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.5 m -99.09 -16.88 18.48 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 121.524 0.678 . . . . 0.0 110.457 -179.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.519 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 26.0 tp -85.72 105.96 16.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.161 -176.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -92.35 149.41 38.33 Favored Pre-proline 0 C--O 1.238 0.485 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.081 177.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -55.99 126.08 21.2 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.775 2.317 . . . . 0.0 112.23 175.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.57 -19.08 24.37 Favored Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 120.533 -0.842 . . . . 0.0 111.359 -176.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.428 ' HB3' ' HA2' ' A' ' 77' ' ' GLY . 50.7 mtt -75.92 135.68 40.1 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.539 0.685 . . . . 0.0 110.502 178.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.7 ttm-85 -82.71 144.38 30.27 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.782 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.442 ' CG2' HD13 ' A' ' 73' ' ' LEU . 27.0 m -128.69 160.09 39.63 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.479 0 CA-C-N 115.573 -0.74 . . . . 0.0 112.193 -175.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.555 ' HE ' ' HG2' ' A' ' 42' ' ' GLU . 20.7 tpp85 -121.03 133.68 55.26 Favored 'General case' 0 C--N 1.31 -1.129 0 O-C-N 124.476 1.11 . . . . 0.0 110.214 179.236 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.545 ' HE2' ' SD ' ' A' ' 72' ' ' MET . 14.4 tpt -84.87 122.66 29.48 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.612 0.72 . . . . 0.0 110.15 176.52 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.7 mp -100.8 2.28 41.01 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.685 -175.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -144.97 156.25 43.85 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 118.081 0.4 . . . . 0.0 111.037 -176.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -91.06 122.25 33.56 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 177.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -144.92 97.28 2.99 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 123.563 0.54 . . . . 0.0 110.684 -169.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 58.05 -114.69 0.79 Allowed 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.279 0.562 . . . . 0.0 111.946 -177.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -75.79 -23.08 55.85 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.615 -174.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.465 HG23 ' HG2' ' A' ' 30' ' ' MET . 35.0 mm -95.28 147.32 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.856 -176.627 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.3 p -122.97 164.92 17.61 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.103 0.478 . . . . 0.0 109.907 -177.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.39 133.16 48.25 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.959 177.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.24 -15.12 57.98 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.586 -177.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -62.14 145.46 53.32 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.555 ' HG2' ' HE ' ' A' ' 29' ' ' ARG . 43.8 mt-10 -125.73 146.36 49.79 Favored 'General case' 0 CA--C 1.51 -0.562 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.403 ' HA2' ' HG3' ' A' ' 60' ' ' GLU . . . -153.46 -178.01 27.56 Favored Glycine 0 C--N 1.313 -0.698 0 C-N-CA 120.329 -0.939 . . . . 0.0 112.22 -177.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -116.58 141.03 48.72 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 115.161 -0.52 . . . . 0.0 109.644 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.519 ' CD2' ' HG ' ' A' ' 22' ' ' LEU . 60.7 t80 -93.09 124.63 37.2 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 -178.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -116.6 -43.29 2.92 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -176.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -145.09 148.87 34.13 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 119.382 -0.927 . . . . 0.0 112.158 -177.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.3 p -130.66 146.85 52.25 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.611 173.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.585 ' O ' HG22 ' A' ' 52' ' ' VAL . 13.9 m120 -106.43 105.49 15.55 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -177.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.3 m120 68.18 -51.41 0.54 Allowed 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 169.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 140.24 44.0 0.07 OUTLIER Glycine 0 C--N 1.304 -1.198 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 -169.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.585 HG22 ' O ' ' A' ' 49' ' ' ASN . 28.9 m -116.05 163.22 22.2 Favored Pre-proline 0 N--CA 1.448 -0.566 0 CA-C-N 115.13 -0.535 . . . . 0.0 110.713 -173.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.495 ' HD2' ' HB ' ' A' ' 52' ' ' VAL . 32.2 Cg_exo -52.58 -47.07 29.11 Favored 'Trans proline' 0 N--CA 1.478 0.592 0 C-N-CA 123.099 2.533 . . . . 0.0 114.62 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.431 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 31.5 Cg_endo -65.28 135.17 41.98 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 121.454 1.436 . . . . 0.0 112.663 177.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.627 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 7.5 p -130.35 140.02 49.88 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.891 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.995 178.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.532 ' OE1' ' HB ' ' A' ' 65' ' ' THR . 5.9 tp-100 -93.49 109.05 20.65 Favored 'General case' 0 C--O 1.247 0.923 0 O-C-N 123.243 0.34 . . . . 0.0 110.58 -178.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.2 t -124.88 134.71 66.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.838 -177.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -88.71 103.93 16.41 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.469 175.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.471 ' CH2' ' HB2' ' A' ' 30' ' ' MET . 98.9 m95 -83.32 117.55 23.07 Favored 'General case' 0 C--N 1.311 -1.08 0 O-C-N 123.668 0.605 . . . . 0.0 111.016 -175.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.403 ' HG3' ' HA2' ' A' ' 43' ' ' GLY . 43.8 mt-10 -69.29 -34.7 75.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.065 -172.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 m -64.56 -40.1 94.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.696 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.3 p -87.76 -36.52 17.27 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.228 0.537 . . . . 0.0 110.547 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.16 26.07 29.59 Favored Glycine 0 N--CA 1.46 0.269 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.086 178.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -147.2 165.13 30.96 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 121.257 -0.177 . . . . 0.0 110.846 -178.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.532 ' HB ' ' OE1' ' A' ' 56' ' ' GLN . 16.5 p -86.23 141.97 28.92 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 123.244 0.34 . . . . 0.0 111.576 179.252 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.467 ' HB3' ' CD1' ' A' ' 59' ' ' TRP . 72.3 t80 -146.26 143.73 29.38 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.921 -176.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.627 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 9.9 m-90 -93.63 116.17 28.66 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.927 0.767 . . . . 0.0 109.409 176.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.428 HG22 ' HZ2' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -114.93 -178.51 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -175.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.588 ' O ' ' HG2' ' A' ' 72' ' ' MET . 30.0 m-70 -109.2 136.12 49.2 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.068 174.384 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.506 ' HZ3' HD23 ' A' ' 22' ' ' LEU . 89.3 m95 -52.05 -43.0 63.57 Favored 'General case' 0 C--O 1.223 -0.316 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -174.079 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -71.83 -4.98 31.05 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -169.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.588 ' HG2' ' O ' ' A' ' 69' ' ' HIS . 20.9 ptp -111.31 9.44 21.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.907 0.86 . . . . 0.0 109.714 176.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.442 HD13 ' CG2' ' A' ' 28' ' ' VAL . 51.5 tp -118.37 135.46 54.31 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.138 -175.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -111.74 142.96 43.42 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-O 121.762 0.791 . . . . 0.0 110.704 179.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.0 tt -98.3 124.7 51.55 Favored 'Isoleucine or valine' 0 C--O 1.245 0.852 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.653 -174.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.6 mp -107.51 -37.15 6.27 Favored 'General case' 0 CA--C 1.508 -0.653 0 C-N-CA 122.806 0.442 . . . . 0.0 110.777 177.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.428 ' HA2' ' HB3' ' A' ' 26' ' ' MET . . . 88.03 -152.43 23.72 Favored Glycine 0 N--CA 1.437 -1.238 0 N-CA-C 111.717 -0.553 . . . . 0.0 111.717 179.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -136.99 95.02 3.03 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 121.912 0.863 . . . . 0.0 110.603 172.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -95.7 -56.51 2.66 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 114.588 -1.187 . . . . 0.0 108.867 176.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 . . . . . 0 C--N 1.322 -0.624 0 CA-C-N 114.983 -1.008 . . . . 0.0 108.467 172.765 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.672 ' HG2' ' HB3' ' A' ' 7' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 121.336 0.589 . . . . 0.0 111.015 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.6 -34.54 78.12 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.084 -176.251 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.6 p -82.31 12.37 4.47 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.94 -173.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.672 ' HB3' ' HG2' ' A' ' 4' ' ' MET . 10.3 pt-20 -70.53 -18.82 62.94 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 117.968 0.349 . . . . 0.0 111.438 -178.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -60.79 157.37 15.08 Favored 'General case' 0 C--O 1.242 0.683 0 O-C-N 123.709 0.63 . . . . 0.0 110.607 179.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.33 92.4 Favored 'General case' 0 C--O 1.241 0.616 0 O-C-N 123.332 0.395 . . . . 0.0 110.939 -173.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.6 m -98.82 -8.57 25.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.116 0.484 . . . . 0.0 110.689 177.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.32 -56.46 1.96 Allowed Glycine 0 C--N 1.341 0.85 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.41 -175.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -58.07 -25.41 61.23 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 123.854 0.861 . . . . 0.0 111.492 178.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.5 m -52.13 -29.74 23.34 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 123.004 0.521 . . . . 0.0 111.417 178.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -61.24 -54.52 43.1 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 175.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.56 ' HB2' ' HB2' ' A' ' 70' ' ' TRP . . . -61.07 -30.59 70.42 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.925 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.2 tp -73.51 -41.48 63.02 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.452 0.644 . . . . 0.0 110.575 -178.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -66.74 -51.47 55.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.769 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.2 m -58.95 -41.74 83.99 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -178.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.491 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 7.0 ptm180 -71.88 -20.59 61.78 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-O 120.744 0.307 . . . . 0.0 111.611 -179.118 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -75.58 -35.89 60.48 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.819 178.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 m -82.51 -34.41 27.94 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 120.676 0.274 . . . . 0.0 110.279 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.669 ' HA ' ' SD ' ' A' ' 26' ' ' MET . 38.7 tp -71.79 96.67 1.67 Allowed 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.114 -177.078 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -86.48 162.36 45.64 Favored Pre-proline 0 N--CA 1.448 -0.565 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.788 178.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.427 ' HA ' ' CD2' ' A' ' 45' ' ' PHE . 35.8 Cg_exo -57.84 124.52 16.19 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.909 2.406 . . . . 0.0 111.647 176.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.08 -5.46 61.34 Favored Glycine 0 CA--C 1.508 -0.351 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.628 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.678 ' HG3' ' HD1' ' A' ' 78' ' ' PHE . 8.6 ttt -74.91 134.45 41.59 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.416 0.627 . . . . 0.0 109.949 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.585 ' HG3' ' O ' ' A' ' 43' ' ' GLY . 35.1 ttm180 -76.16 141.73 41.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.894 178.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.468 HG22 HG13 ' A' ' 57' ' ' VAL . 34.7 m -119.84 161.78 18.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.087 -173.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -121.42 122.58 40.11 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.127 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.588 ' HE1' ' O ' ' A' ' 32' ' ' ASP . 10.6 tpt -74.51 108.73 7.46 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-O 122.084 0.945 . . . . 0.0 109.206 176.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.01 -28.22 20.33 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.458 -1.246 . . . . 0.0 111.434 -171.291 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.588 ' O ' ' HE1' ' A' ' 30' ' ' MET . 18.8 t70 -135.7 138.73 43.06 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -178.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -75.88 145.79 40.25 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.258 0.552 . . . . 0.0 110.438 -173.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.471 ' HB2' ' HE2' ' A' ' 72' ' ' MET . 17.8 t80 -155.69 108.96 2.74 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.876 -176.504 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 54.29 -110.64 0.57 Allowed 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 114.855 -1.066 . . . . 0.0 112.648 176.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -72.47 -28.4 62.89 Favored 'General case' 0 CA--C 1.505 -0.765 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -178.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.509 HG22 ' HG2' ' A' ' 30' ' ' MET . 20.9 mm -98.69 147.59 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 CA-C-O 121.192 0.52 . . . . 0.0 109.697 -174.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 71.2 m -126.05 166.03 17.74 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -177.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.36 137.77 54.86 Favored 'General case' 0 N--CA 1.438 -1.042 0 O-C-N 122.157 -0.339 . . . . 0.0 110.745 -176.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.5 -14.89 57.78 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 121.237 -0.506 . . . . 0.0 112.754 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.441 ' CG ' ' HB3' ' A' ' 61' ' ' SER . 3.7 t70 -68.53 142.1 55.34 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 177.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -118.18 147.83 42.97 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 -178.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.585 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -159.11 -171.76 25.33 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.301 -0.952 . . . . 0.0 111.98 -176.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -125.19 144.14 50.59 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -178.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.427 ' CD2' ' HA ' ' A' ' 24' ' ' PRO . 49.5 t80 -86.59 118.13 25.81 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.442 -175.345 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.447 HH11 ' HD3' ' A' ' 46' ' ' ARG . 23.9 mmt-85 -85.25 -55.75 3.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.842 -0.163 . . . . 0.0 111.388 -178.266 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.72 170.8 1.93 Allowed 'General case' 0 CA--C 1.541 0.605 0 O-C-N 123.503 0.502 . . . . 0.0 110.731 -173.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.4 p -141.22 171.93 13.38 Favored 'General case' 0 C--N 1.309 -1.155 0 O-C-N 123.945 0.778 . . . . 0.0 109.325 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.467 ' O ' HG21 ' A' ' 52' ' ' VAL . 45.2 m-80 -114.53 105.07 12.66 Favored 'General case' 0 N--CA 1.443 -0.815 0 O-C-N 121.596 -0.69 . . . . 0.0 111.313 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 55.41 -92.6 0.03 OUTLIER 'General case' 0 C--O 1.238 0.475 0 C-N-CA 123.995 0.918 . . . . 0.0 111.521 175.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -149.62 38.33 0.94 Allowed Glycine 0 N--CA 1.435 -1.368 0 C-N-CA 121.024 -0.607 . . . . 0.0 112.057 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.467 HG21 ' O ' ' A' ' 49' ' ' ASN . 32.9 m -91.8 153.12 43.67 Favored Pre-proline 0 C--O 1.232 0.139 0 O-C-N 122.387 -0.478 . . . . 0.0 111.055 -178.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.489 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 26.1 Cg_exo -56.22 -45.97 34.08 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.679 2.253 . . . . 0.0 114.587 175.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 29.5 Cg_endo -62.56 130.94 31.59 Favored 'Trans proline' 0 C--N 1.368 1.601 0 C-N-CA 121.445 1.43 . . . . 0.0 113.048 178.339 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.721 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 4.6 p -130.38 139.89 50.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.195 -178.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -95.4 108.55 20.76 Favored 'General case' 0 N--CA 1.434 -1.247 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.524 -177.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.468 HG13 HG22 ' A' ' 28' ' ' VAL . 70.5 t -124.29 138.46 53.77 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 -175.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -97.96 123.28 41.89 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 176.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -95.14 112.87 24.52 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 -176.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.454 ' HG3' ' HA2' ' A' ' 43' ' ' GLY . 41.3 mt-10 -76.13 -17.59 59.52 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 124.1 0.875 . . . . 0.0 111.256 -169.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.441 ' HB3' ' CG ' ' A' ' 41' ' ' ASP . 25.9 t -79.89 -26.38 40.27 Favored 'General case' 0 N--CA 1.447 -0.621 0 O-C-N 123.556 0.535 . . . . 0.0 109.845 -178.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.1 p -105.27 -49.41 3.46 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-O 121.096 0.474 . . . . 0.0 111.353 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.58 16.21 14.99 Favored Glycine 0 CA--C 1.508 -0.389 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -173.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -114.16 139.86 49.0 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.488 -0.19 . . . . 0.0 110.488 -178.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.25 139.52 30.41 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 166.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -151.91 148.48 27.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.687 -175.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.721 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -93.12 116.21 28.82 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 121.418 0.627 . . . . 0.0 109.816 179.219 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.5 t -109.21 176.29 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 -176.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.513 ' O ' ' HG2' ' A' ' 72' ' ' MET . 21.7 m-70 -107.82 136.79 46.96 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 121.197 -0.201 . . . . 0.0 110.912 172.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.56 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 85.3 m95 -54.4 -35.55 62.99 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -172.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -79.24 2.76 20.06 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -171.48 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.513 ' HG2' ' O ' ' A' ' 69' ' ' HIS . 22.3 ptm -122.0 14.44 10.68 Favored 'General case' 0 C--O 1.241 0.657 0 C-N-CA 120.303 -0.559 . . . . 0.0 111.247 177.128 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 70' ' ' TRP . 4.0 pp -118.7 149.33 41.61 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.532 0.682 . . . . 0.0 111.653 177.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.49 140.24 38.89 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.414 175.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.41 HD13 ' CE ' ' A' ' 26' ' ' MET . 0.0 OUTLIER -94.75 119.4 42.72 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 C-N-CA 122.676 0.39 . . . . 0.0 110.826 -177.578 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.6 mt -95.75 -82.24 0.39 Allowed 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 178.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.465 ' HA2' ' CG ' ' A' ' 26' ' ' MET . . . 147.82 -164.23 28.84 Favored Glycine 0 N--CA 1.441 -0.99 0 C-N-CA 121.149 -0.548 . . . . 0.0 111.88 179.298 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.678 ' HD1' ' HG3' ' A' ' 26' ' ' MET . 15.8 p90 -152.43 43.35 0.67 Allowed 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 175.39 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -80.51 51.86 1.54 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 113.948 -1.478 . . . . 0.0 110.444 -170.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 . . . . . 0 N--CA 1.449 -0.491 0 C-N-CA 123.408 0.683 . . . . 0.0 111.779 -179.659 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.534 ' HG3' ' H ' ' A' ' 6' ' ' SER . 27.2 ptm . . . . . 0 CA--C 1.531 0.246 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -60.45 -29.67 69.17 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.864 0.364 . . . . 0.0 110.935 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.58 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 4.9 m -75.23 12.89 0.81 Allowed 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.575 -177.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -68.8 -8.03 39.6 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.6 m-30 -73.24 -170.33 0.76 Allowed 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 175.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.27 -46.43 65.86 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.205 0.526 . . . . 0.0 111.558 -177.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.6 t -130.36 -10.64 4.12 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.402 171.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.58 ' HA3' ' HA ' ' A' ' 6' ' ' SER . . . 86.02 -12.92 58.75 Favored Glycine 0 C--N 1.336 0.564 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 -175.169 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -69.93 -24.15 63.32 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 123.013 0.525 . . . . 0.0 111.719 -176.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.9 m -50.86 -35.41 32.49 Favored 'General case' 0 N--CA 1.439 -1.017 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -176.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -58.02 -54.61 45.03 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.897 0.856 . . . . 0.0 109.667 175.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.545 ' O ' ' HG3' ' A' ' 19' ' ' ARG . . . -61.56 -32.32 72.4 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 113.754 -1.566 . . . . 0.0 111.833 -178.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.9 tp -73.86 -48.68 29.4 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.232 178.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -60.45 -53.89 52.12 Favored 'General case' 0 CA--C 1.514 -0.418 0 O-C-N 123.352 0.408 . . . . 0.0 110.975 -177.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.7 m -54.53 -29.48 20.46 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.668 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -177.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.545 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 56.4 mtp180 -55.23 -37.76 67.61 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 177.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.1 -24.98 62.41 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -175.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.3 m -103.79 -17.72 14.95 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 122.35 -0.219 . . . . 0.0 110.974 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.504 HD23 HD12 ' A' ' 75' ' ' ILE . 0.9 OUTLIER -77.49 66.08 3.15 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.513 ' HG2' ' HE3' ' A' ' 26' ' ' MET . 2.4 pt20 -75.22 161.82 75.53 Favored Pre-proline 0 N--CA 1.444 -0.738 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.641 176.1 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -56.5 103.77 0.13 Allowed 'Trans proline' 0 C--O 1.24 0.616 0 C-N-CA 122.156 1.904 . . . . 0.0 111.321 171.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 130.44 -3.5 5.83 Favored Glycine 0 C--N 1.315 -0.637 0 N-CA-C 111.707 -0.557 . . . . 0.0 111.707 -177.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.969 ' HE1' ' HB2' ' A' ' 80' ' ' GLU . 23.9 mmt -90.26 110.22 21.28 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.145 0.497 . . . . 0.0 111.266 179.105 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.418 ' HD2' ' OE1' ' A' ' 60' ' ' GLU . 26.2 mtm180 -71.51 148.17 47.02 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.751 0.786 . . . . 0.0 110.757 174.189 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.553 ' HB ' ' HB2' ' A' ' 73' ' ' LEU . 35.8 m -124.68 157.15 32.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.494 -176.214 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -127.92 130.29 48.23 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.13 0.491 . . . . 0.0 110.613 176.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.476 ' SD ' ' HB3' ' A' ' 72' ' ' MET . 13.6 tpt -72.19 120.13 17.36 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.102 -176.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.622 HD22 ' HB2' ' A' ' 74' ' ' GLU . 95.7 mt -84.13 -33.33 24.32 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.54 -176.511 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.416 ' O ' ' HG3' ' A' ' 30' ' ' MET . 37.1 t70 -123.64 157.99 32.55 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.393 -176.277 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.521 ' HA ' ' HA ' ' A' ' 38' ' ' SER . 5.8 p-10 -82.83 134.73 35.09 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -157.96 108.07 2.14 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.068 -176.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 63.0 -118.86 0.55 Allowed 'General case' 0 C--N 1.322 -0.598 0 O-C-N 124.32 1.012 . . . . 0.0 110.963 175.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -73.61 -25.96 60.56 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.415 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.411 HG22 ' HG2' ' A' ' 30' ' ' MET . 23.5 mm -99.91 150.81 5.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 O-C-N 123.543 0.527 . . . . 0.0 111.04 -173.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.521 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 60.0 p -132.55 172.36 12.61 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -176.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.23 128.47 35.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.016 0.436 . . . . 0.0 110.72 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.66 -20.65 33.9 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.254 -0.974 . . . . 0.0 113.462 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -61.56 136.75 58.13 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.969 0.384 . . . . 0.0 110.629 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -109.85 147.01 34.1 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 120.961 0.41 . . . . 0.0 110.023 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.46 ' HA2' ' HG3' ' A' ' 60' ' ' GLU . . . -153.71 171.28 32.47 Favored Glycine 0 C--O 1.218 -0.897 0 C-N-CA 119.895 -1.145 . . . . 0.0 112.727 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -106.12 139.21 40.99 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 178.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -84.76 117.34 23.77 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -179.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.534 ' HD2' ' HB2' ' A' ' 58' ' ' PHE . 47.3 mtp85 -91.24 -51.19 5.43 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 119.929 -0.708 . . . . 0.0 110.648 179.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.439 HE21 ' HB3' ' A' ' 56' ' ' GLN . 0.7 OUTLIER 175.46 171.38 0.32 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.673 0.789 . . . . 0.0 109.459 178.197 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.439 ' HA ' ' HA ' ' A' ' 55' ' ' VAL . 9.1 p -116.75 155.94 28.04 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -179.087 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.469 ' C ' ' H ' ' A' ' 51' ' ' GLY . 79.9 m-20 -84.67 115.71 22.81 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 70.39 -9.62 0.75 Allowed 'General case' 0 C--O 1.237 0.401 0 C-N-CA 123.577 0.751 . . . . 0.0 111.163 -178.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.469 ' H ' ' C ' ' A' ' 49' ' ' ASN . . . 87.25 26.64 30.24 Favored Glycine 0 N--CA 1.437 -1.246 0 C-N-CA 120.49 -0.862 . . . . 0.0 111.33 177.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 1.089 ' HB ' ' HD2' ' A' ' 53' ' ' PRO . 13.2 m -117.44 -175.35 0.31 Allowed Pre-proline 0 N--CA 1.45 -0.465 0 CA-C-O 118.76 -0.638 . . . . 0.0 109.806 -179.122 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 1.089 ' HD2' ' HB ' ' A' ' 52' ' ' VAL . 2.9 Cg_exo -33.92 -49.1 0.55 Allowed 'Trans proline' 0 C--N 1.369 1.65 0 C-N-CA 124.005 3.137 . . . . 0.0 116.141 -179.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.549 ' HD2' HG22 ' A' ' 52' ' ' VAL . 16.2 Cg_endo -60.32 116.94 3.67 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 121.394 1.396 . . . . 0.0 112.584 174.426 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.523 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 13.7 p -129.54 139.88 50.55 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.414 -177.046 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.439 ' HB3' HE21 ' A' ' 47' ' ' GLN . 47.7 tt0 -100.62 115.98 31.47 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -177.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.6 t -124.01 131.11 73.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 O-C-N 124.243 0.964 . . . . 0.0 110.913 -173.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.534 ' HB2' ' HD2' ' A' ' 46' ' ' ARG . 79.4 t80 -88.05 117.96 27.28 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 176.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.438 ' HZ2' HG23 ' A' ' 68' ' ' VAL . 98.9 m95 -94.44 118.95 32.43 Favored 'General case' 0 C--N 1.31 -1.142 0 C-N-CA 120.326 -0.55 . . . . 0.0 111.456 -175.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.46 ' HG3' ' HA2' ' A' ' 43' ' ' GLY . 32.1 mt-10 -68.76 -47.37 66.39 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 124.552 1.157 . . . . 0.0 111.089 -173.042 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.7 p -61.66 -33.18 73.5 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.611 -176.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.9 m -85.4 -61.11 1.84 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.275 0.56 . . . . 0.0 110.138 176.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.04 11.65 12.12 Favored Glycine 0 C--N 1.31 -0.863 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.731 -177.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -132.33 155.49 48.29 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' A' ' 58' ' ' PHE . 19.4 m -92.97 148.34 22.08 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.831 177.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -150.24 147.72 28.02 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 122.03 -0.419 . . . . 0.0 110.881 -173.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.523 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 5.0 m-90 -90.14 117.6 29.03 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 175.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.438 HG23 ' HZ2' ' A' ' 59' ' ' TRP . 0.7 OUTLIER -119.02 -175.21 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.919 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.493 ' HB2' ' SD ' ' A' ' 72' ' ' MET . 21.8 m170 -105.28 139.81 39.37 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 170.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.45 ' HD1' ' HA ' ' A' ' 53' ' ' PRO . 86.5 m95 -47.13 -39.62 13.85 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 -176.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 -75.41 0.17 17.9 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.445 -0.502 . . . . 0.0 112.226 -174.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.493 ' SD ' ' HB2' ' A' ' 69' ' ' HIS . 0.8 OUTLIER -83.75 -28.7 28.02 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-O 121.21 0.529 . . . . 0.0 111.064 174.43 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.553 ' HB2' ' HB ' ' A' ' 28' ' ' VAL . 3.6 pp -105.42 146.84 28.94 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 121.209 0.528 . . . . 0.0 112.071 -171.207 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.622 ' HB2' HD22 ' A' ' 31' ' ' LEU . 43.2 tt0 -104.64 143.09 33.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 113.963 -1.471 . . . . 0.0 108.766 174.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.504 HD12 HD23 ' A' ' 22' ' ' LEU . 5.7 tt -91.48 109.18 20.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.092 0.472 . . . . 0.0 111.361 -176.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -94.67 -33.22 13.04 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 172.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.72 -174.04 36.64 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-N 114.912 -1.04 . . . . 0.0 113.831 174.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.463 ' C ' ' H ' ' A' ' 80' ' ' GLU . 44.9 t80 -148.49 126.89 12.29 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 175.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 72.75 -18.84 0.33 Allowed 'General case' 0 N--CA 1.467 0.408 0 O-C-N 124.366 1.041 . . . . 0.0 111.584 -178.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.969 ' HB2' ' HE1' ' A' ' 26' ' ' MET . 25.8 tp10 . . . . . 0 N--CA 1.444 -0.751 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 174.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.481 ' HB2' ' HG2' ' A' ' 7' ' ' GLU . 24.2 mmt . . . . . 0 CA--C 1.516 -0.358 0 CA-C-O 121.325 0.583 . . . . 0.0 111.091 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.8 mtm180 -64.14 -34.05 77.17 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.542 0.687 . . . . 0.0 109.585 173.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 m -74.28 7.44 2.8 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 114.725 -1.125 . . . . 0.0 112.489 -175.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.481 ' HG2' ' HB2' ' A' ' 4' ' ' MET . 7.1 mm-40 -75.55 -12.13 60.16 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.934 0.873 . . . . 0.0 109.897 176.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.604 ' HB3' ' HB ' ' A' ' 13' ' ' THR . 62.7 m-85 -109.59 173.46 6.31 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 172.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.17 -48.26 80.84 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 123.677 0.611 . . . . 0.0 112.609 -170.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.7 m -107.84 4.23 25.25 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -172.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.89 -57.91 4.93 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.629 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -62.93 -26.98 69.07 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 175.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.604 ' HB ' ' HB3' ' A' ' 8' ' ' PHE . 2.0 m -51.87 -27.57 13.2 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.011 176.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -63.64 -54.87 28.96 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.544 175.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.42 -22.34 66.76 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 122.7 0.4 . . . . 0.0 111.423 176.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.7 tp -72.23 -43.56 64.23 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -61.04 -48.22 82.77 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.876 -178.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.539 ' O ' ' HB3' ' A' ' 22' ' ' LEU . 28.4 m -61.07 -38.73 80.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.285 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -42.45 95.73 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 122.085 0.945 . . . . 0.0 109.626 175.63 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -64.59 -54.95 23.97 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.875 -176.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.8 m -90.92 -39.3 12.35 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -171.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.539 ' HB3' ' O ' ' A' ' 18' ' ' VAL . 54.3 tp -79.17 99.3 6.93 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.749 0.785 . . . . 0.0 109.852 -176.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -88.21 164.22 34.01 Favored Pre-proline 0 C--N 1.313 -1.012 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.746 -177.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.706 ' HA ' ' CD1' ' A' ' 45' ' ' PHE . 7.9 Cg_exo -71.05 99.62 0.9 Allowed 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.574 2.183 . . . . 0.0 112.299 178.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 147.69 -32.16 1.34 Allowed Glycine 0 C--O 1.222 -0.595 0 CA-C-N 115.65 -0.705 . . . . 0.0 112.127 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 69.1 mtm -76.51 160.83 29.13 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.38 0.61 . . . . 0.0 112.567 -177.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.57 ' HG2' HD22 ' A' ' 76' ' ' LEU . 21.9 ttm105 -80.46 146.77 31.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.967 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.442 HG23 HG12 ' A' ' 57' ' ' VAL . 23.8 m -124.79 151.02 29.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-O 121.757 0.789 . . . . 0.0 109.277 -178.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.508 ' CZ ' ' HA2' ' A' ' 40' ' ' GLY . 2.7 tmt_? -117.14 126.98 53.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.045 177.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.56 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . 12.6 tpt -80.23 109.78 15.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.056 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.56 ' CD2' ' HB2' ' A' ' 74' ' ' GLU . 0.3 OUTLIER -96.38 4.81 51.97 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -175.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.463 ' HB3' ' SD ' ' A' ' 72' ' ' MET . 2.1 t0 -145.45 170.0 17.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 121.913 -0.492 . . . . 0.0 111.445 -176.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -102.02 126.57 48.98 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -156.0 99.24 1.95 Allowed 'General case' 0 C--O 1.22 -0.452 0 C-N-CA 120.037 -0.665 . . . . 0.0 111.552 -176.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 55.57 -105.57 0.28 Allowed 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 114.835 -1.075 . . . . 0.0 112.258 172.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -64.35 -36.05 82.88 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.897 -177.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.481 HG23 ' HG2' ' A' ' 30' ' ' MET . 25.6 mm -109.96 153.97 11.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-O 121.217 0.532 . . . . 0.0 109.978 -171.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.8 t -125.3 164.6 20.01 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.092 -177.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.52 130.3 43.18 Favored 'General case' 0 C--O 1.249 1.047 0 CA-C-O 120.879 0.371 . . . . 0.0 110.256 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.508 ' HA2' ' CZ ' ' A' ' 29' ' ' ARG . . . 107.09 -14.43 40.41 Favored Glycine 0 N--CA 1.431 -1.693 0 C-N-CA 121.214 -0.517 . . . . 0.0 112.566 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -71.29 151.7 43.97 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.993 -0.71 . . . . 0.0 110.309 176.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -129.7 155.79 45.33 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.285 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.552 ' HA2' ' HG3' ' A' ' 60' ' ' GLU . . . -160.82 -174.88 31.21 Favored Glycine 0 N--CA 1.434 -1.477 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.591 -178.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -123.6 141.4 52.05 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 124.294 0.644 . . . . 0.0 109.609 -177.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.706 ' CD1' ' HA ' ' A' ' 24' ' ' PRO . 7.0 t80 -82.28 115.18 21.23 Favored 'General case' 0 C--O 1.244 0.793 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -174.138 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -84.27 -53.54 5.41 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 121.679 -0.638 . . . . 0.0 110.328 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -173.2 164.93 4.84 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.284 -176.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.532 ' HB3' ' HZ ' ' A' ' 45' ' ' PHE . 21.4 p -132.51 163.87 27.86 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 120.761 0.315 . . . . 0.0 110.291 -178.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.406 ' N ' HD21 ' A' ' 49' ' ' ASN . 0.9 OUTLIER -83.51 129.27 34.97 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 174.315 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -78.95 11.02 2.91 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.879 -1.055 . . . . 0.0 113.084 -167.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -154.54 -22.68 0.04 OUTLIER Glycine 0 C--N 1.339 0.725 0 C-N-CA 120.123 -1.037 . . . . 0.0 112.923 177.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.47 HG22 ' HG2' ' A' ' 54' ' ' PRO . 16.1 m -118.7 159.13 45.42 Favored Pre-proline 0 N--CA 1.444 -0.768 0 O-C-N 122.477 -0.425 . . . . 0.0 111.282 -178.176 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.557 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 52.3 Cg_exo -50.45 -49.4 16.65 Favored 'Trans proline' 0 CA--C 1.549 1.245 0 C-N-CA 124.171 3.248 . . . . 0.0 115.11 -174.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 0.9 OUTLIER -42.42 123.79 2.91 Favored 'Trans proline' 0 C--N 1.366 1.471 0 C-N-CA 122.949 2.433 . . . . 0.0 113.858 -175.076 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.603 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 5.6 p -129.29 137.25 57.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.582 179.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -96.66 107.49 19.94 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.815 0.341 . . . . 0.0 110.594 -174.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.442 HG12 HG23 ' A' ' 28' ' ' VAL . 72.8 t -122.26 136.58 58.66 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.172 0 CA-C-N 116.74 -0.209 . . . . 0.0 110.498 -178.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -93.83 116.82 29.32 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 176.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.56 ' CZ3' ' HB2' ' A' ' 30' ' ' MET . 98.2 m95 -90.21 110.36 21.4 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 121.729 0.776 . . . . 0.0 110.631 -177.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.552 ' HG3' ' HA2' ' A' ' 43' ' ' GLY . 41.1 mt-10 -73.31 -34.17 65.56 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.057 -170.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 45.5 t -62.75 -33.62 75.53 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.639 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.5 m -96.88 -48.84 5.28 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.27 -178.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.77 19.52 9.62 Favored Glycine 0 N--CA 1.451 -0.315 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 178.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -132.17 148.56 52.47 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 122.419 -0.459 . . . . 0.0 110.447 -177.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.94 142.62 32.28 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.606 171.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -148.74 146.29 28.02 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.603 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 24.1 m-90 -92.62 114.53 27.11 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 176.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -101.64 -156.39 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.306 -1.306 0 C-N-CA 123.723 0.809 . . . . 0.0 109.795 -172.26 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -137.88 135.52 36.22 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 -170.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -48.74 -50.25 34.62 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 26.5 p80 -68.29 -11.11 58.9 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.69 -0.631 . . . . 0.0 111.658 -177.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.463 ' SD ' ' HB3' ' A' ' 32' ' ' ASP . 47.9 tpp -95.51 -10.94 28.35 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -176.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.1 mt -103.94 132.83 49.81 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 120.891 -0.324 . . . . 0.0 111.551 -173.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.56 ' HB2' ' CD2' ' A' ' 31' ' ' LEU . 37.6 tt0 -109.04 145.63 35.28 Favored 'General case' 0 C--O 1.225 -0.211 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 171.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.8 tt -107.14 121.65 60.26 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.127 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.712 -179.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.896 HD11 ' HB2' ' A' ' 79' ' ' GLU . 0.5 OUTLIER -87.23 -18.37 30.43 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 119.991 -0.683 . . . . 0.0 110.614 178.238 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.62 76.94 0.8 Allowed Glycine 0 CA--C 1.508 -0.381 0 C-N-CA 120.141 -1.028 . . . . 0.0 111.685 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 63.39 -90.31 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.275 0.63 . . . . 0.0 112.176 -176.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.896 ' HB2' HD11 ' A' ' 76' ' ' LEU . 32.4 mt-10 43.25 59.43 2.96 Favored 'General case' 0 C--O 1.247 0.94 0 CA-C-O 121.731 0.777 . . . . 0.0 111.557 -176.2 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 . . . . . 0 C--N 1.329 -0.309 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -176.332 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 79.8 mtp . . . . . 0 C--O 1.214 -0.793 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.425 ' HA ' ' HD2' ' A' ' 5' ' ' ARG . 20.0 tpt180 -67.35 -30.02 69.72 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.641 0.734 . . . . 0.0 110.313 177.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.597 ' O ' ' HA2' ' A' ' 11' ' ' GLY . 19.8 m -81.92 14.78 2.56 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.433 178.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -76.65 14.91 0.71 Allowed 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -177.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.428 ' HB3' ' HB ' ' A' ' 13' ' ' THR . 62.0 m-85 -57.32 -179.78 0.04 OUTLIER 'General case' 0 C--O 1.243 0.76 0 CA-C-O 120.773 0.321 . . . . 0.0 111.269 178.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -45.94 -45.52 15.56 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.726 0.811 . . . . 0.0 113.016 -169.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.5 t -127.15 11.69 7.04 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.29 0.567 . . . . 0.0 109.832 176.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.597 ' HA2' ' O ' ' A' ' 6' ' ' SER . . . 77.48 -49.94 3.11 Favored Glycine 0 CA--C 1.51 -0.231 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.399 -178.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.7 p30 -58.5 -24.4 60.39 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 177.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.428 ' HB ' ' HB3' ' A' ' 8' ' ' PHE . 2.8 m -55.6 -29.53 59.28 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 120.754 0.312 . . . . 0.0 110.926 175.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -61.99 -42.61 99.33 Favored 'General case' 0 C--O 1.213 -0.826 0 CA-C-O 121.135 0.493 . . . . 0.0 109.987 176.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.77 -31.24 72.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.826 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 68.3 tp -73.72 -45.33 52.78 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 121.259 0.552 . . . . 0.0 110.215 177.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -56.15 -53.94 51.14 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.885 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.414 HG13 HD12 ' A' ' 75' ' ' ILE . 22.3 m -63.79 -43.31 97.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -178.26 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -69.53 -22.65 63.56 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 118.151 0.432 . . . . 0.0 111.046 -176.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -66.39 -44.96 81.64 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.777 178.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.2 t -94.03 -28.47 15.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.676 -175.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.516 HD21 HG21 ' A' ' 75' ' ' ILE . 16.9 tp -77.54 97.64 5.1 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.477 0.656 . . . . 0.0 111.037 -174.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.501 ' HG2' ' HE1' ' A' ' 26' ' ' MET . 3.1 pt20 -93.09 154.75 41.63 Favored Pre-proline 0 N--CA 1.446 -0.636 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.521 178.092 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -49.18 120.77 5.96 Favored 'Trans proline' 0 C--O 1.246 0.878 0 C-N-CA 122.948 2.432 . . . . 0.0 111.81 173.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.65 -12.01 20.96 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.643 -0.789 . . . . 0.0 111.798 -176.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.501 ' HE1' ' HG2' ' A' ' 23' ' ' GLN . 49.2 mtt -89.1 123.27 33.22 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.322 0.582 . . . . 0.0 111.312 172.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 37.9 mtm180 -77.43 149.02 35.15 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.986 0.898 . . . . 0.0 111.804 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.9 m -122.08 161.75 22.46 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.519 0 CA-C-N 114.452 -1.249 . . . . 0.0 111.991 -177.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.0 ttm-85 -123.09 136.68 54.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.179 176.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.528 ' HG2' HG21 ' A' ' 37' ' ' ILE . 15.0 tpt -89.07 125.75 35.15 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.913 -0.492 . . . . 0.0 110.42 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.437 HD11 ' HA ' ' A' ' 31' ' ' LEU . 4.1 mm? -112.7 -3.58 14.23 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.371 -175.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -124.0 163.55 21.17 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 118.209 0.459 . . . . 0.0 110.52 -176.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -88.59 118.87 28.55 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 176.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.445 ' HB2' ' HE1' ' A' ' 30' ' ' MET . 5.9 t80 -127.49 178.97 5.74 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.441 -174.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.46 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 1.4 mp0 -70.03 91.72 0.7 Allowed 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.795 -176.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' A' ' 35' ' ' GLU . 42.7 mt-10 95.84 -26.61 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.574 0 O-C-N 124.91 1.381 . . . . 0.0 110.153 175.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.528 HG21 ' HG2' ' A' ' 30' ' ' MET . 42.5 mm -97.78 144.95 10.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 177.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.7 m -132.35 174.87 9.8 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 -175.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.3 131.86 46.58 Favored 'General case' 0 N--CA 1.436 -1.131 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.106 -178.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.5 -18.76 37.77 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.762 178.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -63.16 136.89 58.02 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 117.518 0.659 . . . . 0.0 110.939 177.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 42.0 mt-10 -104.63 142.32 34.88 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.942 176.241 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -143.14 162.2 27.55 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 119.578 -1.296 . . . . 0.0 112.371 -178.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -103.03 135.76 44.12 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -88.78 114.12 25.06 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 -177.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -83.54 -56.43 3.74 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.453 -177.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -178.35 172.54 1.49 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.843 -172.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.5 m -125.89 148.43 49.19 Favored 'General case' 0 C--O 1.248 1.003 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.511 HD21 ' N ' ' A' ' 49' ' ' ASN . 0.1 OUTLIER -171.99 178.96 2.81 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 123.579 0.549 . . . . 0.0 111.174 -177.022 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.9 m120 74.57 -19.19 0.38 Allowed 'General case' 0 CA--C 1.521 -0.164 0 O-C-N 123.976 0.798 . . . . 0.0 112.002 177.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.88 -63.09 0.57 Allowed Glycine 0 C--O 1.236 0.237 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.831 171.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.762 ' HB ' ' HD2' ' A' ' 53' ' ' PRO . 5.8 m -65.35 166.04 15.45 Favored Pre-proline 0 C--O 1.221 -0.402 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -175.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.762 ' HD2' ' HB ' ' A' ' 52' ' ' VAL . 2.1 Cg_endo -40.01 -40.87 2.82 Favored 'Trans proline' 0 CA--C 1.546 1.108 0 C-N-CA 124.446 3.43 . . . . 0.0 117.936 -175.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.533 ' HG2' HG21 ' A' ' 52' ' ' VAL . 3.9 Cg_endo -44.8 142.32 5.16 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 121.58 1.52 . . . . 0.0 114.352 178.363 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.677 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 12.6 p -133.14 141.31 45.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-N 114.174 -1.375 . . . . 0.0 108.697 -174.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.4 ' HA ' ' OE1' ' A' ' 56' ' ' GLN . 6.1 tp60 -92.32 108.13 19.73 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.422 -176.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 98.9 t -124.87 136.53 60.51 Favored 'Isoleucine or valine' 0 C--O 1.241 0.635 0 CA-C-O 121.395 0.616 . . . . 0.0 110.4 -175.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.401 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 82.3 t80 -93.2 118.76 31.61 Favored 'General case' 0 N--CA 1.44 -0.933 0 O-C-N 121.865 -0.522 . . . . 0.0 110.645 175.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.485 ' CH2' ' HB2' ' A' ' 30' ' ' MET . 95.6 m95 -95.74 114.36 26.09 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.118 0.485 . . . . 0.0 109.807 -178.075 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 8.5 pt-20 -72.82 -29.82 63.55 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.976 -170.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.2 p -61.95 -35.42 78.4 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 124.055 0.847 . . . . 0.0 111.703 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.7 p -104.25 -25.66 12.8 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.66 178.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.24 16.91 65.83 Favored Glycine 0 CA--C 1.521 0.424 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.855 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -117.46 143.0 46.47 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-O 120.956 0.407 . . . . 0.0 110.807 -176.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.401 ' HA ' ' HA ' ' A' ' 58' ' ' PHE . 16.3 p -83.85 143.25 30.04 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.005 169.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.411 ' HE2' ' CE2' ' A' ' 34' ' ' TYR . 27.3 t80 -153.95 147.69 25.32 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.433 0.159 . . . . 0.0 111.116 -177.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.677 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 24.5 m-90 -91.17 115.03 27.7 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 179.48 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.482 ' O ' HG11 ' A' ' 55' ' ' VAL . 2.0 t -116.87 -179.61 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -177.585 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.599 ' O ' ' HG2' ' A' ' 72' ' ' MET . 14.8 m-70 -109.18 138.35 45.66 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.634 175.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 64.9 m95 -51.33 -38.9 55.5 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -177.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -69.67 -4.88 21.45 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -168.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.599 ' HG2' ' O ' ' A' ' 69' ' ' HIS . 5.1 ptm -120.42 11.91 11.53 Favored 'General case' 0 C--O 1.24 0.577 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.953 -177.189 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.8 mp -117.0 145.5 43.63 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.125 0.488 . . . . 0.0 110.231 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -102.43 139.61 37.8 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 172.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.516 HG21 HD21 ' A' ' 22' ' ' LEU . 21.8 pt -99.08 130.44 48.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -176.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.403 HD11 ' HA ' ' A' ' 76' ' ' LEU . 3.7 mm? -98.46 -9.04 25.71 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.378 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.46 ' HA2' ' SD ' ' A' ' 26' ' ' MET . . . 66.46 -151.01 52.17 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.194 -178.132 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -153.5 -55.88 0.12 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 117.352 0.576 . . . . 0.0 110.693 176.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -83.01 -22.09 33.7 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 . . . . . 0 C--N 1.312 -1.03 0 C-N-CA 124.145 0.978 . . . . 0.0 111.053 -177.301 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.571 ' O ' ' HG3' ' A' ' 7' ' ' GLU . 1.5 pmm? . . . . . 0 C--O 1.218 -0.578 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.426 ' HA ' ' HD2' ' A' ' 5' ' ' ARG . 20.3 tpt180 -57.76 -25.91 61.13 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.425 -179.639 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.74 ' O ' ' HA2' ' A' ' 11' ' ' GLY . 15.7 m -66.51 16.86 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -177.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.571 ' HG3' ' O ' ' A' ' 4' ' ' MET . 50.0 mt-10 -67.95 16.42 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 179.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.461 ' H ' ' C ' ' A' ' 6' ' ' SER . 66.0 m-85 -76.27 178.49 6.43 Favored 'General case' 0 C--O 1.245 0.831 0 O-C-N 121.939 -0.476 . . . . 0.0 111.518 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.98 -47.77 67.95 Favored 'General case' 0 C--O 1.241 0.635 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -171.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.3 m -106.87 -1.24 22.62 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 178.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.74 ' HA2' ' O ' ' A' ' 6' ' ' SER . . . 75.82 -60.41 2.97 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-O 121.324 0.402 . . . . 0.0 112.598 -177.457 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.4 p30 -59.3 -23.44 62.44 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 123.257 0.623 . . . . 0.0 111.969 177.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 m -51.35 -33.46 29.64 Favored 'General case' 0 C--N 1.343 0.302 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -177.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -62.4 -43.46 98.77 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' A' ' 19' ' ' ARG . . . -67.77 -25.33 65.55 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 114.801 -1.09 . . . . 0.0 111.134 178.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 36.1 tp -75.76 -49.66 17.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.162 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -56.97 -55.3 36.42 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.365 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.689 ' HB ' HD13 ' A' ' 75' ' ' ILE . 34.2 m -59.48 -35.89 61.42 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.508 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.794 -179.22 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 36.2 ttm180 -52.87 -40.68 63.63 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -179.094 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -63.36 -42.72 98.91 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 121.37 0.605 . . . . 0.0 111.009 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.492 ' O ' ' HE3' ' A' ' 26' ' ' MET . 11.1 m -79.42 -25.22 42.08 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.58 0.705 . . . . 0.0 110.69 -177.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.639 HD11 ' HB2' ' A' ' 26' ' ' MET . 30.1 tp -80.15 88.86 5.42 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-O 121.488 0.661 . . . . 0.0 110.984 -174.234 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.681 ' N ' HE21 ' A' ' 23' ' ' GLN . 0.0 OUTLIER -94.51 158.58 35.33 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.72 173.256 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -53.23 115.58 2.38 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.054 1.836 . . . . 0.0 111.695 173.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.62 -17.67 10.18 Favored Glycine 0 N--CA 1.449 -0.446 0 O-C-N 123.681 0.613 . . . . 0.0 111.72 -176.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.639 ' HB2' HD11 ' A' ' 22' ' ' LEU . 17.3 mmt -71.11 133.7 46.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.157 0.503 . . . . 0.0 111.253 176.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.414 ' HD2' ' N ' ' A' ' 27' ' ' ARG . 2.5 mpt_? -83.55 148.05 27.42 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.107 174.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.8 m -125.59 156.09 35.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -177.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -115.8 122.85 46.68 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 124.281 0.988 . . . . 0.0 109.45 177.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.505 ' HG2' HG22 ' A' ' 37' ' ' ILE . 9.9 tpt -74.57 119.23 18.48 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.624 HD12 ' HB2' ' A' ' 74' ' ' GLU . 96.2 mt -94.05 -18.62 21.64 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -174.26 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.459 ' O ' ' HE1' ' A' ' 30' ' ' MET . 15.8 t70 -133.38 154.52 50.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.59 -0.694 . . . . 0.0 110.25 -175.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -85.11 127.83 34.4 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -149.32 100.34 3.01 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.35 0.595 . . . . 0.0 110.22 -173.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 47.91 -107.11 0.18 Allowed 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 114.316 -1.311 . . . . 0.0 112.473 -178.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -66.19 -33.7 76.35 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.816 -175.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.505 HG22 ' HG2' ' A' ' 30' ' ' MET . 18.0 mm -100.56 150.7 5.48 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 O-C-N 122.177 -0.327 . . . . 0.0 110.665 -172.078 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.7 m -122.95 166.71 14.62 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.653 -178.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.82 127.81 34.17 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.54 -19.13 39.96 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.879 -0.677 . . . . 0.0 113.134 -179.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -63.82 141.69 58.68 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 122.489 -0.418 . . . . 0.0 111.009 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -104.32 147.05 27.95 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.434 0.635 . . . . 0.0 111.094 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -151.52 -178.68 26.52 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.846 177.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.404 ' HA ' ' HA ' ' A' ' 27' ' ' ARG . 42.9 tt0 -130.78 147.4 52.44 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.902 0.382 . . . . 0.0 110.158 177.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.408 ' HE1' HG21 ' A' ' 55' ' ' VAL . 74.9 t80 -91.54 124.13 35.48 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -177.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.71 ' HD2' ' HB2' ' A' ' 58' ' ' PHE . 52.8 mtp85 -103.18 -44.17 5.27 Favored 'General case' 0 C--N 1.318 -0.794 0 O-C-N 123.486 0.491 . . . . 0.0 111.587 -177.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.464 HE21 ' HB3' ' A' ' 56' ' ' GLN . 0.8 OUTLIER -178.32 169.08 1.86 Allowed 'General case' 0 C--O 1.234 0.285 0 O-C-N 124.056 0.847 . . . . 0.0 110.732 179.104 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.501 ' HB3' HG21 ' A' ' 55' ' ' VAL . 58.0 p -165.86 -173.1 2.56 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.865 -174.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -97.92 -170.85 2.05 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 176.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -60.17 -36.65 78.07 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.669 0.668 . . . . 0.0 112.618 -173.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.13 -11.24 0.04 OUTLIER Glycine 0 CA--C 1.526 0.729 0 C-N-CA 120.356 -0.926 . . . . 0.0 113.521 -175.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.588 HG11 ' HD2' ' A' ' 54' ' ' PRO . 25.9 t -57.45 138.88 81.14 Favored Pre-proline 0 CA--C 1.546 0.797 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 172.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.412 ' HD2' ' CG1' ' A' ' 52' ' ' VAL . 23.4 Cg_exo -26.8 -52.75 0.1 Allowed 'Trans proline' 0 CA--C 1.558 1.717 1 C-N-CA 126.093 4.529 . . . . 0.0 116.738 -176.295 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.588 ' HD2' HG11 ' A' ' 52' ' ' VAL . 30.5 Cg_endo -62.3 113.99 2.15 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 121.214 1.276 . . . . 0.0 113.469 -172.173 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.562 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 7.9 p -125.72 134.85 65.66 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.81 176.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.464 ' HB3' HE21 ' A' ' 47' ' ' GLN . 8.5 tt0 -98.15 113.18 25.0 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.317 0.579 . . . . 0.0 110.354 -175.407 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.0 t -119.36 131.86 70.82 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.549 -177.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.71 ' HB2' ' HD2' ' A' ' 46' ' ' ARG . 69.3 t80 -84.28 103.71 13.7 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.477 175.343 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.496 ' CH2' ' HB2' ' A' ' 30' ' ' MET . 99.1 m95 -85.99 116.61 24.32 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 -177.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.96 -12.22 59.73 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.283 0.564 . . . . 0.0 110.03 -174.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 31.4 t -67.43 -43.77 80.39 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.147 174.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.4 p -96.51 -21.34 17.76 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.502 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.01 28.86 48.63 Favored Glycine 0 CA--C 1.502 -0.722 0 C-N-CA 120.47 -0.871 . . . . 0.0 113.115 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -152.08 165.63 34.12 Favored 'General case' 0 C--O 1.242 0.665 0 O-C-N 122.471 -0.429 . . . . 0.0 111.423 -175.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 p -86.78 150.17 24.34 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.909 178.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -152.45 145.72 24.72 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.673 -179.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.562 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 27.0 m-90 -96.43 115.9 28.19 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-O 121.137 0.494 . . . . 0.0 109.831 178.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.433 ' O ' HG12 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -113.96 -178.32 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 -177.311 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.586 ' O ' ' HG2' ' A' ' 72' ' ' MET . 39.8 m-70 -98.55 133.41 42.95 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 173.065 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 83.9 m95 -44.41 -50.44 9.27 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -70.29 -0.09 7.39 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -167.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.586 ' HG2' ' O ' ' A' ' 69' ' ' HIS . 14.9 ptm -113.48 10.71 18.26 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.927 0.785 . . . . 0.0 113.074 -174.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.445 ' N ' HD13 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -130.26 159.58 36.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.348 0.594 . . . . 0.0 112.065 173.303 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.624 ' HB2' HD12 ' A' ' 31' ' ' LEU . 45.1 tt0 -112.12 157.13 21.18 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.079 -179.037 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.689 HD13 ' HB ' ' A' ' 18' ' ' VAL . 29.2 mm -85.61 123.4 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.441 -179.344 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.2 mt -99.84 -15.62 18.34 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 121.497 0.665 . . . . 0.0 109.886 172.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.635 ' HA2' ' SD ' ' A' ' 26' ' ' MET . . . 62.82 -142.76 48.07 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 114.857 -1.065 . . . . 0.0 112.482 178.037 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -112.05 16.3 20.28 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-O 121.09 0.472 . . . . 0.0 109.925 174.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -70.33 -28.51 65.21 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.926 173.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 . . . . . 0 C--N 1.318 -0.783 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.358 176.637 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.48 ' O ' HG22 ' A' ' 18' ' ' VAL . 46.3 t80 . . . . . 0 N--CA 1.438 -1.043 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.444 ' HA ' ' HB3' ' A' ' 70' ' ' TRP . . . -56.21 -35.78 67.71 Favored 'General case' 0 C--O 1.241 0.64 0 O-C-N 124.246 0.966 . . . . 0.0 111.511 174.43 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.4 tp -72.69 -46.41 53.9 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.609 0.719 . . . . 0.0 110.973 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -57.33 -55.18 38.14 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.332 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 14' ' ' TYR . 29.1 m -61.9 -44.26 98.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.63 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -54.4 -37.4 65.02 Favored 'General case' 0 C--O 1.209 -1.076 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -65.35 -42.29 93.0 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-O 121.023 0.44 . . . . 0.0 110.429 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.0 m -88.81 -29.33 19.82 Favored 'General case' 0 C--O 1.244 0.8 0 O-C-N 121.381 -0.824 . . . . 0.0 111.215 -175.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.59 89.3 2.21 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -102.83 157.4 33.79 Favored Pre-proline 0 C--N 1.312 -1.033 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.794 173.31 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.464 ' HA ' ' O ' ' A' ' 45' ' ' PHE . 76.5 Cg_exo -48.09 113.59 0.86 Allowed 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.167 1.912 . . . . 0.0 112.169 175.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.06 -15.54 8.85 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.911 -176.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 22.5 mmt -77.15 125.8 29.91 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 121.309 0.576 . . . . 0.0 109.929 174.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -76.79 149.36 36.26 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-O 121.198 0.523 . . . . 0.0 110.007 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.1 m -134.83 155.84 38.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 -176.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.727 ' HB2' HD11 ' A' ' 76' ' ' LEU . 50.5 ttt85 -123.77 137.32 54.7 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.388 174.065 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.475 ' HG2' HG22 ' A' ' 37' ' ' ILE . 12.8 tpt -78.01 110.26 12.79 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.409 ' HB2' ' HB2' ' A' ' 74' ' ' GLU . 40.0 tp -89.17 -25.36 21.85 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.153 -1.385 . . . . 0.0 110.593 -171.442 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.442 ' O ' ' HG3' ' A' ' 30' ' ' MET . 19.8 t70 -120.32 154.46 34.99 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.543 ' OD1' ' HA ' ' A' ' 38' ' ' SER . 20.4 t70 -96.06 127.99 42.56 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 120.661 -0.416 . . . . 0.0 109.953 179.426 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -156.61 116.62 3.56 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 120.315 -0.554 . . . . 0.0 112.029 -170.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 60.85 -124.66 0.94 Allowed 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.577 1.151 . . . . 0.0 111.276 174.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -70.65 -24.7 62.76 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.9 0.857 . . . . 0.0 111.504 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.475 HG22 ' HG2' ' A' ' 30' ' ' MET . 27.4 mm -91.62 145.69 7.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -174.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.543 ' HA ' ' OD1' ' A' ' 33' ' ' ASP . 22.2 m -120.26 149.73 41.82 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.061 -176.515 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.05 129.79 43.53 Favored 'General case' 0 N--CA 1.446 -0.673 0 O-C-N 123.458 0.474 . . . . 0.0 111.203 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.44 -12.46 47.44 Favored Glycine 0 C--N 1.317 -0.515 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.619 -177.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -62.88 143.14 57.91 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -122.75 146.99 47.02 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.69 -171.23 27.48 Favored Glycine 0 N--CA 1.438 -1.22 0 C-N-CA 120.94 -0.647 . . . . 0.0 111.685 -174.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -123.11 148.85 45.22 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 -177.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.464 ' O ' ' HA ' ' A' ' 24' ' ' PRO . 22.0 t80 -86.86 113.82 22.99 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.552 0.691 . . . . 0.0 109.243 178.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.0 mmm180 -91.07 -50.48 5.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.221 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.521 ' HG3' ' HB3' ' A' ' 56' ' ' GLN . 26.6 pt20 -167.21 165.91 15.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.544 -177.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.5 ' HB3' HG23 ' A' ' 55' ' ' VAL . 25.3 p . . . . . 0 C--N 1.32 -0.685 0 CA-C-O 121.155 0.503 . . . . 0.0 111.341 178.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.543 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 6.9 Cg_endo . . . . . 0 CA--C 1.544 1.021 0 N-CA-C 116.145 1.556 . . . . 0.0 116.145 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 10.0 Cg_endo -54.75 124.8 17.1 Favored 'Trans proline' 0 C--N 1.368 1.56 0 C-N-CA 122.214 1.943 . . . . 0.0 114.183 -177.543 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.652 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 4.6 p -129.07 137.62 56.67 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.496 177.551 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.521 ' HB3' ' HG3' ' A' ' 47' ' ' GLN . 7.1 tp60 -92.45 107.2 19.03 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 -176.576 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.8 t -124.59 139.74 49.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.885 -177.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -97.24 118.55 33.92 Favored 'General case' 0 C--N 1.315 -0.891 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 176.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -94.73 122.75 37.66 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 121.65 0.738 . . . . 0.0 110.367 -177.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -70.16 -49.64 48.4 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 114.085 -1.416 . . . . 0.0 112.34 -171.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.8 p -66.09 -34.83 78.96 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.74 -171.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.1 p -83.26 -50.5 8.34 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.484 0.659 . . . . 0.0 109.782 176.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.5 21.79 18.45 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 -179.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -119.84 141.02 49.91 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 -178.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.9 m -85.79 137.09 33.03 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 170.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -143.15 146.29 33.59 Favored 'General case' 0 C--N 1.314 -0.955 0 O-C-N 123.308 0.38 . . . . 0.0 110.389 -171.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.652 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 8.8 m-90 -89.04 113.85 25.01 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 171.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.602 HG12 ' H ' ' A' ' 69' ' ' HIS . 1.4 t -104.23 -155.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.671 -171.488 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.602 ' H ' HG12 ' A' ' 68' ' ' VAL . 32.2 m-70 -138.28 133.99 33.77 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 -172.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.445 ' CD1' ' HA ' ' A' ' 53' ' ' PRO . 89.5 m95 -52.18 -45.37 65.11 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 -177.008 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.443 ' HA ' ' CD2' ' A' ' 14' ' ' TYR . 6.5 p80 -69.03 -11.38 60.74 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -173.238 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 20.1 ptp -112.1 13.06 20.6 Favored 'General case' 0 C--O 1.221 -0.43 0 O-C-N 121.679 -0.638 . . . . 0.0 111.549 -178.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.613 HD11 HG11 ' A' ' 55' ' ' VAL . 77.7 mt -99.78 128.28 45.88 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.445 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.484 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . 9.4 tp10 -100.05 125.66 46.14 Favored 'General case' 0 C--O 1.223 -0.341 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 173.683 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.6 tt -83.13 127.66 39.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.277 0.56 . . . . 0.0 111.927 -174.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.727 HD11 ' HB2' ' A' ' 29' ' ' ARG . 85.2 mt . . . . . 0 C--O 1.238 0.484 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 176.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.5 t80 . . . . . 0 N--CA 1.45 -0.437 0 CA-C-O 121.559 0.695 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.508 ' HA ' HG22 ' A' ' 18' ' ' VAL . . . -63.13 -29.99 71.23 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.523 178.445 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 36.5 tp -70.85 -44.82 65.63 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-O 121.705 0.764 . . . . 0.0 110.155 -178.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -64.69 -53.54 45.73 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 114.519 -1.218 . . . . 0.0 110.63 177.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.508 HG22 ' HA ' ' A' ' 15' ' ' ALA . 34.2 m -62.91 -44.83 99.86 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 O-C-N 123.429 0.455 . . . . 0.0 112.148 -175.338 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.448 ' HA ' ' CZ3' ' A' ' 70' ' ' TRP . 46.2 ptt85 -59.14 -25.74 64.15 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 118.48 0.582 . . . . 0.0 111.861 -178.512 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -87.62 -43.95 11.58 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.933 -0.479 . . . . 0.0 111.771 -177.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.2 m -82.97 -24.6 32.88 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.299 0.571 . . . . 0.0 111.952 -173.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.424 HD12 ' HB3' ' A' ' 26' ' ' MET . 19.1 tp -70.93 94.52 1.08 Allowed 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.178 0.513 . . . . 0.0 111.488 -176.393 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -80.69 152.37 72.29 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.689 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -57.02 110.96 0.67 Allowed 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.399 2.066 . . . . 0.0 111.429 176.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.17 -9.44 24.83 Favored Glycine 0 CA--C 1.519 0.333 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.99 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.424 ' HB3' HD12 ' A' ' 22' ' ' LEU . 47.2 ttm -76.15 134.81 39.84 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.368 0.604 . . . . 0.0 110.978 -178.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -74.91 150.02 39.27 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.189 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.5 m -134.37 157.32 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.119 -177.044 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.522 ' HB2' HD11 ' A' ' 76' ' ' LEU . 27.9 ttp-105 -126.67 143.79 51.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.607 177.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.4 tpt -87.06 141.08 28.92 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.168 177.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 31' ' ' LEU . 5.7 mp -94.98 -43.65 8.06 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-O 121.503 0.668 . . . . 0.0 111.337 -175.577 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -134.99 155.73 50.26 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 114.999 -1.001 . . . . 0.0 111.551 -176.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -74.28 135.1 42.61 Favored 'General case' 0 C--O 1.245 0.836 0 C-N-CA 122.377 0.271 . . . . 0.0 110.349 -175.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -155.6 98.82 1.98 Allowed 'General case' 0 C--O 1.244 0.779 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -171.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.504 ' HG2' ' HG3' ' A' ' 36' ' ' GLU . 42.3 tt0 69.47 -30.85 0.2 Allowed 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 165.303 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.504 ' HG3' ' HG2' ' A' ' 35' ' ' GLU . 37.1 mt-10 -163.46 -38.24 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 122.888 0.475 . . . . 0.0 110.312 -169.147 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.9 mm -101.4 150.06 6.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.304 -0.862 . . . . 0.0 108.932 -177.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.8 t -117.9 155.78 29.59 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.939 0.4 . . . . 0.0 110.28 -175.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.3 123.64 17.87 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.118 175.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.71 -13.49 50.23 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.874 -176.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -66.25 150.03 49.43 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 117.699 0.75 . . . . 0.0 110.39 175.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -129.65 150.08 51.13 Favored 'General case' 0 C--O 1.244 0.8 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.897 -177.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -158.08 -171.81 24.46 Favored Glycine 0 CA--C 1.501 -0.815 0 C-N-CA 120.648 -0.787 . . . . 0.0 111.851 -177.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -126.76 150.69 48.97 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.958 0.885 . . . . 0.0 109.379 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.572 ' HE1' ' HG ' ' A' ' 48' ' ' SER . 59.3 t80 -95.07 118.67 32.28 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.008 -179.407 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 54.8 mtp85 -107.94 -51.97 2.83 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.926 0.393 . . . . 0.0 111.694 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.417 ' O ' ' HB3' ' A' ' 56' ' ' GLN . 11.1 pt20 -159.76 148.36 17.49 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.21 -175.437 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.74 ' OG ' HG23 ' A' ' 55' ' ' VAL . 59.9 m . . . . . 0 N--CA 1.445 -0.723 0 CA-C-O 121.337 0.589 . . . . 0.0 111.729 -175.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.533 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 9.2 Cg_endo . . . . . 0 CA--C 1.551 1.333 0 N-CA-C 116.914 1.852 . . . . 0.0 116.914 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 11.7 Cg_endo -53.96 114.25 1.7 Allowed 'Trans proline' 0 C--N 1.368 1.583 0 C-N-CA 122.1 1.867 . . . . 0.0 114.132 -174.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.74 HG23 ' OG ' ' A' ' 48' ' ' SER . 2.3 p -118.9 127.82 75.76 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-N 115.131 -0.941 . . . . 0.0 108.858 176.532 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.417 ' HB3' ' O ' ' A' ' 47' ' ' GLN . 36.3 tt0 -93.17 112.95 25.04 Favored 'General case' 0 C--N 1.314 -0.975 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.615 -177.407 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 91.3 t -121.24 131.67 72.46 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.503 -177.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.414 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 71.5 t80 -88.66 113.42 24.2 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 175.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -91.03 111.53 23.03 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.218 -177.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -84.34 -25.58 29.09 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-O 121.226 0.536 . . . . 0.0 111.822 -170.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.9 p -69.39 -33.62 73.3 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.504 177.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.6 m -90.15 -54.36 4.06 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.489 0.662 . . . . 0.0 110.092 174.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.07 22.63 6.14 Favored Glycine 0 C--N 1.318 -0.453 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.41 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -137.35 148.91 46.62 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' A' ' 58' ' ' PHE . 2.1 m -84.97 145.62 27.64 Favored 'General case' 0 C--N 1.317 -0.827 0 O-C-N 123.487 0.492 . . . . 0.0 109.876 175.727 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -148.16 148.19 30.29 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 123.389 0.431 . . . . 0.0 110.322 -176.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.466 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 23.6 m-90 -95.77 116.04 28.31 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 174.249 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.441 HG12 ' H ' ' A' ' 69' ' ' HIS . 0.7 OUTLIER -109.41 -177.78 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 -175.388 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.698 ' O ' ' HG2' ' A' ' 72' ' ' MET . 55.3 m-70 -99.69 136.29 39.85 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 171.183 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.448 ' CZ3' ' HA ' ' A' ' 19' ' ' ARG . 91.0 m95 -49.22 -44.72 43.59 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -177.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.499 ' HB3' ' HB2' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -67.69 -4.44 12.17 Favored 'General case' 0 C--O 1.213 -0.85 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -172.046 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.698 ' HG2' ' O ' ' A' ' 69' ' ' HIS . 12.7 ptm -117.77 21.09 13.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 118.597 0.635 . . . . 0.0 111.393 -178.211 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.508 HD11 HG11 ' A' ' 55' ' ' VAL . 95.7 mt -108.56 136.38 48.25 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 122.061 -0.399 . . . . 0.0 110.715 178.434 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.402 ' HG3' ' NH2' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -106.84 134.39 50.06 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 177.195 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.462 HD11 ' HA ' ' A' ' 18' ' ' VAL . 21.3 mt -95.58 135.32 30.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.851 0.357 . . . . 0.0 111.862 -175.42 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.522 HD11 ' HB2' ' A' ' 29' ' ' ARG . 8.9 mp . . . . . 0 N--CA 1.465 0.287 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 171.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.411 ' O ' HG13 ' A' ' 18' ' ' VAL . 77.6 t80 . . . . . 0 N--CA 1.451 -0.393 0 CA-C-O 121.478 0.656 . . . . 0.0 110.044 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.545 ' HB1' ' HB2' ' A' ' 70' ' ' TRP . . . -65.7 -34.66 78.72 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.549 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.527 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 4.2 pp -76.59 -26.36 54.96 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.529 0.68 . . . . 0.0 110.233 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -72.59 -53.56 11.56 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-O 121.181 0.515 . . . . 0.0 111.088 174.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.493 HG22 ' HA ' ' A' ' 15' ' ' ALA . 33.2 m -56.46 -32.24 35.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -176.316 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.527 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -65.84 -17.28 64.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.425 0.631 . . . . 0.0 111.402 -179.691 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -83.84 -40.01 19.22 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.897 0.856 . . . . 0.0 110.639 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.3 m -81.29 -41.28 22.38 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.901 -178.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.64 HD23 ' HB ' ' A' ' 75' ' ' ILE . 0.5 OUTLIER -83.08 98.73 9.46 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.938 0.875 . . . . 0.0 110.397 -177.791 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -90.11 161.57 37.5 Favored Pre-proline 0 C--O 1.238 0.476 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.845 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.424 ' HA ' ' CD2' ' A' ' 45' ' ' PHE . 62.0 Cg_exo -52.49 122.24 10.48 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.353 2.702 . . . . 0.0 111.811 177.566 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.73 -22.85 15.97 Favored Glycine 0 C--O 1.218 -0.88 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.804 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.485 ' HB2' HD13 ' A' ' 22' ' ' LEU . 42.1 mtt -76.09 148.97 37.52 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.139 0.495 . . . . 0.0 111.347 -177.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.534 ' HB3' HD23 ' A' ' 76' ' ' LEU . 20.8 mtt180 -82.61 159.36 22.73 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.865 0.84 . . . . 0.0 112.406 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.6 m -141.82 155.03 19.67 Favored 'Isoleucine or valine' 0 C--O 1.242 0.686 0 CA-C-N 114.538 -1.21 . . . . 0.0 111.295 -179.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 29' ' ' ARG . 13.7 ttp180 -124.87 132.29 53.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.933 0.397 . . . . 0.0 110.572 175.535 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.487 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 15.7 tpt -81.03 125.54 30.3 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.049 0.452 . . . . 0.0 111.106 -179.216 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.581 HD11 ' HB2' ' A' ' 74' ' ' GLU . 96.4 mt -94.1 -17.17 23.09 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -175.622 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -128.04 165.2 20.77 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 122.123 -0.36 . . . . 0.0 111.101 -175.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -84.83 124.23 31.35 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 174.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -146.95 92.82 2.18 Favored 'General case' 0 C--O 1.244 0.764 0 O-C-N 122.077 -0.389 . . . . 0.0 110.434 -174.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 59.74 -113.43 0.63 Allowed 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.143 178.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -75.57 -21.16 58.11 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.088 -176.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 26.2 mm -96.78 142.99 13.14 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-O 120.821 0.344 . . . . 0.0 110.315 -178.174 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.3 m -116.94 157.86 25.03 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.47 -178.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.31 125.75 24.9 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 176.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.21 -12.44 44.32 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.97 -0.633 . . . . 0.0 113.453 -177.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -64.85 146.77 54.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 117.528 0.664 . . . . 0.0 110.214 176.039 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -129.16 151.48 49.79 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 120.996 0.427 . . . . 0.0 110.269 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.405 ' O ' ' HG2' ' A' ' 27' ' ' ARG . . . -163.96 -171.35 30.1 Favored Glycine 0 N--CA 1.436 -1.357 0 C-N-CA 121.243 -0.503 . . . . 0.0 112.869 -178.409 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -120.43 143.83 48.27 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 110.537 -0.172 . . . . 0.0 110.537 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.424 ' CD2' ' HA ' ' A' ' 24' ' ' PRO . 56.5 t80 -86.05 115.16 23.47 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -179.199 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -83.4 -55.75 4.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.884 -177.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.464 HE21 ' HG2' ' A' ' 56' ' ' GLN . 4.8 pm0 -173.02 169.7 4.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.879 -175.262 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.6 p . . . . . 0 C--N 1.329 -0.325 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 -179.674 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.478 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 35.6 Cg_exo . . . . . 0 CA--C 1.543 0.973 0 N-CA-C 113.58 0.569 . . . . 0.0 113.58 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 34.5 Cg_endo -65.59 135.82 43.71 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 121.722 1.615 . . . . 0.0 111.695 176.016 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.501 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 7.4 p -129.28 140.37 49.36 Favored 'Isoleucine or valine' 0 C--O 1.246 0.915 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -177.339 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.464 ' HG2' HE21 ' A' ' 47' ' ' GLN . 5.4 tp-100 -94.97 107.08 19.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.59 0.709 . . . . 0.0 109.828 -177.687 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 86.8 t -121.74 138.51 51.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.523 -176.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -93.33 112.1 23.94 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.648 174.149 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.487 ' CH2' ' HB2' ' A' ' 30' ' ' MET . 98.0 m95 -91.27 112.78 24.83 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -178.57 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -75.17 -31.36 60.96 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.022 -170.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.4 p -67.54 -35.1 78.41 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.83 0.824 . . . . 0.0 111.231 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.73 -50.9 7.21 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.459 0.647 . . . . 0.0 110.171 175.325 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.24 11.76 23.18 Favored Glycine 0 N--CA 1.44 -1.085 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.363 175.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.91 163.39 29.95 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 122.539 -0.389 . . . . 0.0 110.188 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.4 p -86.89 149.56 24.72 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.194 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -148.01 148.39 30.67 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 121.192 0.52 . . . . 0.0 109.817 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.501 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 13.4 m-90 -92.32 115.46 28.11 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 174.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.478 HG12 ' H ' ' A' ' 69' ' ' HIS . 2.2 t -113.65 179.91 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.478 ' H ' HG12 ' A' ' 68' ' ' VAL . 29.9 m-70 -102.67 136.14 43.05 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 168.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.545 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . 96.1 m95 -44.47 -46.52 9.71 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -173.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.43 ' HB3' ' HB2' ' A' ' 15' ' ' ALA . 6.4 p80 -73.75 0.0 14.35 Favored 'General case' 0 C--O 1.221 -0.447 0 C-N-CA 119.813 -0.755 . . . . 0.0 113.034 -172.297 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.414 ' HB3' ' CE ' ' A' ' 30' ' ' MET . 15.8 mmt -84.33 -23.98 29.98 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-O 121.131 0.491 . . . . 0.0 111.694 178.574 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.3 pp -111.76 151.27 29.16 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-O 122.289 1.042 . . . . 0.0 111.081 -172.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.581 ' HB2' HD11 ' A' ' 31' ' ' LEU . 42.1 tt0 -99.21 139.91 34.17 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 113.85 -1.523 . . . . 0.0 108.666 175.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.64 ' HB ' HD23 ' A' ' 22' ' ' LEU . 32.2 pt -80.47 112.29 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.122 0 CA-C-O 121.139 0.495 . . . . 0.0 109.936 -178.18 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.534 HD23 ' HB3' ' A' ' 27' ' ' ARG . 35.2 tp . . . . . 0 C--N 1.317 -0.816 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.403 -175.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 78.2 t80 . . . . . 0 C--O 1.237 0.416 0 CA-C-O 121.382 0.611 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.431 ' HA ' HG22 ' A' ' 18' ' ' VAL . . . -63.36 -29.88 71.11 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.343 178.356 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.8 tp -73.73 -38.96 64.63 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.836 -179.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -65.23 -53.04 50.34 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.65 178.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.431 HG22 ' HA ' ' A' ' 15' ' ' ALA . 29.1 m -60.59 -37.64 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.285 -176.316 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -29.0 64.18 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 122.201 0.2 . . . . 0.0 110.733 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -74.89 -52.41 11.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.884 0.373 . . . . 0.0 111.943 -178.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.2 m -83.69 -32.23 25.67 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.005 0.431 . . . . 0.0 111.744 -173.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.494 ' HA ' ' SD ' ' A' ' 26' ' ' MET . 38.9 tp -68.34 96.56 0.67 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.947 0.404 . . . . 0.0 110.822 -176.128 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -93.32 167.24 14.46 Favored Pre-proline 0 N--CA 1.441 -0.914 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.945 176.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.433 ' HA ' ' O ' ' A' ' 45' ' ' PHE . 23.5 Cg_exo -62.81 130.88 30.89 Favored 'Trans proline' 0 C--O 1.237 0.472 0 C-N-CA 122.574 2.182 . . . . 0.0 110.896 175.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.31 -9.24 62.92 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.293 -0.956 . . . . 0.0 111.721 -178.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.494 ' SD ' ' HA ' ' A' ' 22' ' ' LEU . 52.0 ttm -83.64 132.27 34.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 122.332 -0.511 . . . . 0.0 110.231 179.595 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.4 mtm180 -81.13 148.78 29.44 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.26 0.552 . . . . 0.0 112.389 -176.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.48 HG21 HD23 ' A' ' 73' ' ' LEU . 30.7 m -133.24 159.21 43.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 114.465 -1.243 . . . . 0.0 110.353 -178.156 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 29' ' ' ARG . 13.8 ttp180 -120.32 129.23 53.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.101 174.374 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.545 ' HG2' HG22 ' A' ' 37' ' ' ILE . 11.9 tpt -75.38 121.33 22.1 Favored 'General case' 0 C--N 1.315 -0.891 0 N-CA-C 109.732 -0.469 . . . . 0.0 109.732 178.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.506 HD21 ' HB2' ' A' ' 74' ' ' GLU . 97.7 mt -92.37 -9.04 43.2 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 113.261 0.838 . . . . 0.0 113.261 -174.681 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -147.46 155.83 42.28 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 121.431 -0.793 . . . . 0.0 110.962 -177.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.609 ' HA ' ' HA ' ' A' ' 38' ' ' SER . 20.7 t70 -87.31 130.53 34.58 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.032 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -154.58 98.93 2.13 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.048 -171.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.444 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 16.9 mt-10 57.72 -1.04 0.08 Allowed 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 116.194 1.924 . . . . 0.0 116.194 166.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 35' ' ' GLU . 34.6 tt0 177.36 -42.96 0.01 OUTLIER 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 177.666 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.545 HG22 ' HG2' ' A' ' 30' ' ' MET . 25.9 mm -95.62 146.59 6.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.315 -178.311 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.609 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 49.8 m -123.03 160.69 25.8 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 120.875 0.369 . . . . 0.0 111.462 -173.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.04 124.31 20.15 Favored 'General case' 0 C--O 1.245 0.824 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.523 178.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.74 -14.47 45.79 Favored Glycine 0 C--N 1.335 0.526 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.614 -177.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.51 ' CG ' ' HB3' ' A' ' 61' ' ' SER . 6.6 t0 -64.68 140.27 58.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 122.075 -0.662 . . . . 0.0 109.329 175.401 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.529 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 46.3 mt-10 -110.9 145.68 37.88 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -178.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -150.16 174.65 29.52 Favored Glycine 0 N--CA 1.438 -1.188 0 C-N-CA 119.401 -1.38 . . . . 0.0 112.465 -173.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -122.68 142.36 50.77 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.433 ' O ' ' HA ' ' A' ' 24' ' ' PRO . 85.3 t80 -85.45 116.67 23.9 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -178.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.431 ' HA ' ' HD3' ' A' ' 46' ' ' ARG . 21.0 mmt180 -91.94 -53.37 4.3 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.264 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.91 163.45 11.56 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.974 -0.291 . . . . 0.0 110.359 -176.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.8 p . . . . . 0 C--N 1.313 -0.987 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.643 -179.624 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.536 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 52.3 Cg_exo . . . . . 0 CA--C 1.538 0.683 0 N-CA-C 116.157 1.56 . . . . 0.0 116.157 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 9.1 Cg_endo -50.03 128.01 20.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 C-N-CA 122.7 2.267 . . . . 0.0 113.806 -174.538 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.694 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 8.0 p -128.78 138.29 54.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.359 179.083 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.514 ' NE2' ' HB ' ' A' ' 65' ' ' THR . 6.1 tp60 -98.2 110.0 22.66 Favored 'General case' 0 C--O 1.237 0.434 0 O-C-N 121.633 -0.667 . . . . 0.0 110.088 -175.167 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.598 HG21 HD21 ' A' ' 73' ' ' LEU . 91.3 t -123.98 132.81 70.77 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.845 -177.334 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -90.45 112.84 24.62 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.629 177.04 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.424 ' CZ3' ' HB2' ' A' ' 30' ' ' MET . 91.9 m95 -95.78 123.2 39.25 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -176.7 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.529 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -83.64 -25.21 30.96 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -171.221 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.51 ' HB3' ' CG ' ' A' ' 41' ' ' ASP . 22.8 t -70.94 -35.95 72.41 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.489 0.661 . . . . 0.0 109.604 -178.242 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.3 p -92.4 -39.8 11.24 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.507 0.67 . . . . 0.0 110.529 175.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.59 29.92 9.58 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.675 176.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 57.0 mtt85 -138.1 154.12 49.25 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 122.396 0.278 . . . . 0.0 110.686 -178.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.514 ' HB ' ' NE2' ' A' ' 56' ' ' GLN . 21.6 p -83.13 147.36 28.13 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 169.614 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -152.8 146.51 25.13 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.389 0.614 . . . . 0.0 110.439 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.694 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 24.3 m-90 -94.97 114.63 26.48 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 178.517 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.488 ' O ' HG12 ' A' ' 55' ' ' VAL . 1.6 t -115.06 177.22 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.852 -174.245 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.479 ' H ' HG12 ' A' ' 68' ' ' VAL . 2.2 m80 -93.26 134.63 35.27 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 172.486 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -48.59 -47.58 39.71 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -177.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -72.34 4.09 4.07 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -173.13 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.468 ' HG3' ' HB2' ' A' ' 69' ' ' HIS . 57.8 mtp -97.52 -9.0 27.91 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 122.291 -0.256 . . . . 0.0 110.751 177.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.598 HD21 HG21 ' A' ' 57' ' ' VAL . 8.0 mp -103.51 137.06 42.1 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 120.805 0.336 . . . . 0.0 110.869 -174.761 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.506 ' HB2' HD21 ' A' ' 31' ' ' LEU . 39.3 tt0 -95.75 134.82 38.24 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 172.008 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.6 tt -88.1 108.91 19.11 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 CA-C-O 122.519 1.152 . . . . 0.0 110.226 -174.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 82.3 mt . . . . . 0 C--N 1.322 -0.592 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.092 176.983 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.7 t80 . . . . . 0 C--O 1.241 0.639 0 CA-C-O 121.334 0.588 . . . . 0.0 109.932 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.544 ' HB2' ' HA ' ' A' ' 71' ' ' HIS . . . -59.65 -31.48 69.57 Favored 'General case' 0 N--CA 1.438 -1.044 0 C-N-CA 123.661 0.784 . . . . 0.0 110.519 176.011 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.6 tp -69.6 -36.05 75.85 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.508 176.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -65.87 -48.9 70.01 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.655 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 19.4 m -63.09 -42.73 97.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.416 177.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -57.94 -41.6 83.14 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.419 0.628 . . . . 0.0 111.03 177.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -56.85 -34.69 68.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.348 -176.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.452 ' HB ' HD12 ' A' ' 75' ' ' ILE . 3.2 m -109.43 -2.86 17.45 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.824 -174.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.657 HD12 ' HZ3' ' A' ' 70' ' ' TRP . 19.6 mt -81.27 100.07 8.96 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 177.467 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -92.08 161.5 33.07 Favored Pre-proline 0 C--N 1.309 -1.183 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.109 174.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.11 110.57 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.093 1.862 . . . . 0.0 111.787 173.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.25 -8.51 26.83 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.788 -176.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.429 ' HB3' HD22 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -73.01 136.16 45.03 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.202 0.525 . . . . 0.0 110.099 178.656 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.449 HH21 ' CD ' ' A' ' 60' ' ' GLU . 48.3 ttt180 -83.2 151.23 25.77 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.287 -178.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.7 m -137.78 157.43 33.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.74 0.781 . . . . 0.0 111.054 -177.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.528 ' HB2' HD11 ' A' ' 76' ' ' LEU . 43.1 ttp180 -128.47 143.74 51.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.189 174.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.406 ' HG2' HG22 ' A' ' 37' ' ' ILE . 13.2 tpt -80.36 119.36 22.98 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.596 -178.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.0 mt -90.72 -27.03 19.23 Favored 'General case' 0 C--O 1.243 0.74 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -177.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.49 ' HB2' ' HB2' ' A' ' 72' ' ' MET . 1.9 m-20 -113.85 167.99 10.17 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.775 0.321 . . . . 0.0 110.54 -174.533 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -98.33 126.91 44.03 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.244 0.545 . . . . 0.0 110.038 177.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.41 ' HE2' ' OH ' ' A' ' 66' ' ' TYR . 31.8 t80 -120.97 178.07 4.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.791 -171.651 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -84.29 28.75 0.61 Allowed 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.651 -175.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -173.45 -41.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.701 0.762 . . . . 0.0 109.34 -175.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.406 HG22 ' HG2' ' A' ' 30' ' ' MET . 32.5 mm -114.12 157.0 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 113.75 -1.568 . . . . 0.0 108.81 -179.087 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.3 t -131.06 163.4 27.7 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -176.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.39 128.83 38.25 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-O 121.026 0.441 . . . . 0.0 110.228 -179.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.26 -18.25 42.44 Favored Glycine 0 CA--C 1.521 0.423 0 CA-C-N 115.765 -0.652 . . . . 0.0 113.322 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -62.59 138.29 58.45 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 117.206 0.503 . . . . 0.0 109.905 174.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 39.9 mt-10 -116.5 157.54 25.04 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 121.28 0.562 . . . . 0.0 110.472 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -162.64 -171.37 28.76 Favored Glycine 0 CA--C 1.505 -0.536 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.898 178.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -122.0 148.57 44.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.554 0.692 . . . . 0.0 110.151 -178.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.486 ' HE1' ' HB3' ' A' ' 48' ' ' SER . 71.5 t80 -91.49 120.27 32.16 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.125 -178.592 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -99.24 -50.65 4.06 Favored 'General case' 0 C--N 1.315 -0.911 0 O-C-N 121.865 -0.522 . . . . 0.0 111.535 179.01 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -165.49 159.71 17.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.421 0.629 . . . . 0.0 110.688 -175.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.61 ' HB3' HG23 ' A' ' 55' ' ' VAL . 17.9 p . . . . . 0 C--N 1.313 -1.016 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.637 -177.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.512 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 34.6 Cg_exo . . . . . 0 CA--C 1.55 1.312 0 N-CA-C 115.588 1.342 . . . . 0.0 115.588 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 10.0 Cg_endo -52.45 116.9 3.15 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 122.128 1.885 . . . . 0.0 114.424 -173.732 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.61 HG23 ' HB3' ' A' ' 48' ' ' SER . 2.7 p -129.81 136.56 58.75 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.391 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.891 174.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -95.76 111.91 23.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.619 0.723 . . . . 0.0 110.862 -175.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.5 t -122.9 140.97 45.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.726 -176.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -95.49 111.07 23.04 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 174.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -83.38 113.53 20.8 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.772 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.449 ' CD ' HH21 ' A' ' 27' ' ' ARG . 12.5 pt-20 -77.82 -20.61 52.88 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.341 0.591 . . . . 0.0 110.223 -175.458 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.2 t -65.42 -43.5 90.33 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.737 177.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.2 m -96.58 -33.34 11.83 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.901 0.858 . . . . 0.0 110.167 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.92 23.72 24.66 Favored Glycine 0 CA--C 1.521 0.462 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.731 178.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 64' ' ' ARG . 10.1 ptp180 -133.07 151.51 52.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.341 0.591 . . . . 0.0 111.296 -177.404 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -81.31 138.87 35.67 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.296 -0.866 . . . . 0.0 109.538 173.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.41 ' OH ' ' HE2' ' A' ' 34' ' ' TYR . 37.7 t80 -152.1 149.51 28.88 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.442 0.163 . . . . 0.0 111.414 -177.253 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.514 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 22.1 m-90 -97.02 117.99 32.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.585 178.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.482 HG12 ' H ' ' A' ' 69' ' ' HIS . 1.0 OUTLIER -117.06 -179.58 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -174.32 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.518 ' HB2' ' SD ' ' A' ' 72' ' ' MET . 33.0 m-70 -103.37 136.61 42.8 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.257 0.551 . . . . 0.0 109.856 174.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.657 ' HZ3' HD12 ' A' ' 22' ' ' LEU . 99.1 m95 -52.13 -36.32 50.89 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -179.302 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.544 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . 35.9 p-80 -63.53 -14.22 48.98 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -171.291 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.518 ' SD ' ' HB2' ' A' ' 69' ' ' HIS . 0.6 OUTLIER -115.58 13.31 16.32 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.985 -176.041 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 74.0 mt -106.59 133.39 51.34 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 73.3 tt0 -100.1 135.16 41.95 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.931 176.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.452 HD12 ' HB ' ' A' ' 21' ' ' THR . 7.9 tt -76.41 124.52 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.912 177.151 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.528 HD11 ' HB2' ' A' ' 29' ' ' ARG . 89.1 mt . . . . . 0 C--N 1.319 -0.729 0 CA-C-O 121.407 0.623 . . . . 0.0 109.581 172.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.442 ' O ' HG22 ' A' ' 18' ' ' VAL . 75.1 t80 . . . . . 0 N--CA 1.445 -0.675 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.23 -34.04 68.17 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.009 175.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.0 tp -72.97 -42.33 63.46 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.668 176.106 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -62.09 -54.77 36.64 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.593 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.745 ' HB ' HD23 ' A' ' 22' ' ' LEU . 27.8 m -57.0 -29.45 31.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 112.916 0.709 . . . . 0.0 112.916 -177.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.411 HH21 ' HH2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -47.64 -49.61 26.78 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 179.286 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -86.81 -22.46 25.85 Favored 'General case' 0 C--N 1.315 -0.934 0 O-C-N 122.06 -0.4 . . . . 0.0 110.836 -177.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.9 m -87.02 -25.9 24.01 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.022 0.439 . . . . 0.0 110.929 -172.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.745 HD23 ' HB ' ' A' ' 18' ' ' VAL . 3.8 mm? -78.53 100.54 6.95 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.481 0.658 . . . . 0.0 111.236 -178.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -98.39 137.07 20.69 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.098 172.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -49.62 101.65 0.05 OUTLIER 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 123.046 2.498 . . . . 0.0 111.796 175.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.38 -8.97 6.23 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.748 -175.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 50.3 tpp -82.41 128.59 34.39 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 43' ' ' GLY . 20.0 ttm180 -79.52 141.53 36.59 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 121.332 0.586 . . . . 0.0 112.285 -177.674 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.601 HG12 HG22 ' A' ' 75' ' ' ILE . 34.1 m -123.2 160.21 26.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.63 -176.705 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.3 ttt85 -122.7 132.68 54.37 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.565 174.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 13.5 tpt -79.62 105.13 10.7 Favored 'General case' 0 C--O 1.238 0.468 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 172.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.458 ' CD1' ' H ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -95.34 -11.26 28.1 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 122.152 -0.342 . . . . 0.0 111.717 -173.852 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -118.54 139.29 51.68 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 175.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -84.39 146.84 27.46 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 122.044 -0.41 . . . . 0.0 110.908 -172.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -153.26 153.91 33.59 Favored 'General case' 0 C--O 1.209 -1.045 0 CA-C-N 115.2 -0.909 . . . . 0.0 108.821 -174.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.479 ' CD ' ' H ' ' A' ' 35' ' ' GLU . 1.5 mp0 -39.14 -71.8 0.07 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 178.358 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -67.11 -55.28 14.9 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 122.426 0.29 . . . . 0.0 111.325 -174.106 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -105.3 136.58 38.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 O-C-N 123.806 0.691 . . . . 0.0 109.645 -177.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.4 m -110.09 155.59 21.69 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.848 -168.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.28 127.26 31.24 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 176.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.65 -14.2 46.26 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.236 -0.983 . . . . 0.0 112.05 -176.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -70.82 144.3 50.83 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-O 121.698 0.761 . . . . 0.0 109.564 177.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -131.54 149.32 52.56 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 -176.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.482 ' HA2' ' HG2' ' A' ' 60' ' ' GLU . . . -166.41 -171.46 32.59 Favored Glycine 0 N--CA 1.434 -1.445 0 C-N-CA 119.402 -1.38 . . . . 0.0 112.942 -177.148 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -110.18 148.48 31.73 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.642 -0.279 . . . . 0.0 111.471 -178.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.572 ' CG ' HD12 ' A' ' 22' ' ' LEU . 81.4 t80 -86.81 117.92 25.86 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 176.249 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -90.79 -55.93 3.38 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.576 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 pm0 -172.32 168.67 5.53 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.165 0.507 . . . . 0.0 111.672 -177.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.403 ' HG ' ' HH2' ' A' ' 70' ' ' TRP . 16.3 m . . . . . 0 C--O 1.218 -0.578 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.824 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.465 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 33.0 Cg_exo . . . . . 0 CA--C 1.539 0.766 0 N-CA-C 114.923 1.086 . . . . 0.0 114.923 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.465 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 9.5 Cg_endo -55.17 119.98 7.42 Favored 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 121.361 1.374 . . . . 0.0 113.657 -177.432 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.681 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 9.5 p -127.32 133.37 68.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 114.884 -1.053 . . . . 0.0 108.82 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -99.84 108.88 21.26 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-O 121.488 0.661 . . . . 0.0 110.222 -170.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.453 HG21 HD22 ' A' ' 73' ' ' LEU . 62.2 t -122.83 138.38 53.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.119 -177.523 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.441 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 43.6 t80 -97.77 120.77 38.75 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.436 0.636 . . . . 0.0 109.468 177.717 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.416 ' HZ2' HG21 ' A' ' 68' ' ' VAL . 95.9 m95 -100.96 127.99 47.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.41 -176.154 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.482 ' HG2' ' HA2' ' A' ' 43' ' ' GLY . 8.6 mm-40 -70.33 -40.25 74.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.893 -170.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.8 m -67.27 -39.55 86.07 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 121.684 0.754 . . . . 0.0 111.246 -175.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.4 m -83.3 -31.25 26.98 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.598 177.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.468 ' C ' ' HD2' ' A' ' 64' ' ' ARG . . . 72.2 24.09 76.95 Favored Glycine 0 CA--C 1.524 0.643 0 O-C-N 124.426 1.079 . . . . 0.0 112.284 179.401 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.468 ' HD2' ' C ' ' A' ' 63' ' ' GLY . 8.6 mpt_? -131.8 149.23 52.53 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 115.045 -0.578 . . . . 0.0 109.88 -179.107 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.441 ' HA ' ' HA ' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -81.71 143.87 31.55 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 174.194 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -147.55 147.42 30.09 Favored 'General case' 0 N--CA 1.437 -1.078 0 N-CA-C 110.491 -0.189 . . . . 0.0 110.491 -174.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.681 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -96.77 114.97 26.65 Favored 'General case' 0 C--O 1.241 0.635 0 O-C-N 124.421 1.076 . . . . 0.0 109.808 177.551 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.564 HG12 ' HB2' ' A' ' 72' ' ' MET . 3.1 t -105.41 169.17 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.86 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -174.095 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -88.49 136.97 32.73 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 168.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.411 ' HH2' HH21 ' A' ' 19' ' ' ARG . 97.5 m95 -44.75 -49.49 10.57 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -172.5 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -73.67 2.63 7.74 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.695 -174.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.564 ' HB2' HG12 ' A' ' 68' ' ' VAL . 90.4 mmm -92.24 -18.61 23.18 Favored 'General case' 0 CA--C 1.516 -0.345 0 O-C-N 121.895 -0.503 . . . . 0.0 110.963 -179.032 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.453 HD22 HG21 ' A' ' 57' ' ' VAL . 3.6 pp -115.29 133.79 55.71 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.554 0.693 . . . . 0.0 110.898 -176.571 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -120.06 108.13 13.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.255 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.601 HG22 HG12 ' A' ' 28' ' ' VAL . 12.4 pt -49.94 132.07 9.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 178.29 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 15.1 tp . . . . . 0 N--CA 1.443 -0.816 0 CA-C-N 114.55 -1.204 . . . . 0.0 108.015 175.513 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 84.0 t80 . . . . . 0 N--CA 1.446 -0.648 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.417 ' HB1' ' HB2' ' A' ' 70' ' ' TRP . . . -57.57 -33.02 67.73 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.919 176.674 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.1 tp -73.33 -41.06 63.94 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -59.21 -53.37 59.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.881 178.521 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.2 m -62.43 -37.96 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 O-C-N 123.826 0.704 . . . . 0.0 111.831 -179.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.451 ' HA ' ' CZ3' ' A' ' 70' ' ' TRP . 37.0 ttm180 -52.62 -51.79 58.41 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-O 121.107 0.48 . . . . 0.0 111.838 177.495 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -79.32 -26.7 42.14 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -174.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.9 p -82.36 -36.13 27.13 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -176.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.416 ' HG ' HG22 ' A' ' 75' ' ' ILE . 31.8 mt -82.59 103.5 12.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 122.478 1.132 . . . . 0.0 112.665 -179.206 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.479 ' HB2' ' SD ' ' A' ' 26' ' ' MET . 0.5 OUTLIER -89.81 156.87 46.96 Favored Pre-proline 0 N--CA 1.448 -0.537 0 CA-C-N 114.165 -1.38 . . . . 0.0 110.463 172.147 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.79 122.45 11.02 Favored 'Trans proline' 0 C--O 1.237 0.46 0 C-N-CA 122.113 1.875 . . . . 0.0 111.887 175.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.82 -11.03 49.29 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.127 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.479 ' SD ' ' HB2' ' A' ' 23' ' ' GLN . 88.8 mtp -84.12 138.62 32.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.287 0.565 . . . . 0.0 110.791 178.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 -82.29 149.01 28.02 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 122.196 0.998 . . . . 0.0 111.842 -175.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.406 HG21 HG11 ' A' ' 57' ' ' VAL . 34.9 m -131.05 158.4 43.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 114.321 -1.309 . . . . 0.0 111.054 -171.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.458 ' HB3' ' HB3' ' A' ' 74' ' ' GLU . 43.8 ttm180 -124.26 136.54 54.21 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.573 174.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.515 ' HG2' HG22 ' A' ' 37' ' ' ILE . 11.8 tpt -79.21 108.75 12.95 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.335 0.588 . . . . 0.0 110.161 177.426 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.509 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 25.2 tp -90.93 -6.54 53.96 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.06 -0.973 . . . . 0.0 111.618 -173.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.588 ' HB3' ' HB2' ' A' ' 72' ' ' MET . 14.8 t70 -138.38 150.61 46.71 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 -178.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.461 ' HA ' ' HA ' ' A' ' 38' ' ' SER . 5.9 p-10 -86.36 126.8 34.61 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 175.576 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -151.33 99.66 2.67 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.575 0.702 . . . . 0.0 110.561 -172.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 59.46 -112.07 0.57 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-N 114.83 -1.077 . . . . 0.0 111.816 175.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -72.08 -25.96 61.97 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 122.424 0.29 . . . . 0.0 111.648 -175.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.515 HG22 ' HG2' ' A' ' 30' ' ' MET . 16.7 mm -106.92 151.45 8.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -174.218 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.461 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 34.4 m -132.9 162.65 31.04 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -177.36 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.64 127.78 33.34 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 121.358 0.599 . . . . 0.0 111.245 -178.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.75 -17.7 38.56 Favored Glycine 0 N--CA 1.442 -0.941 0 CA-C-N 115.175 -0.92 . . . . 0.0 112.971 -178.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -64.31 139.85 58.81 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 172.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -128.17 155.31 44.67 Favored 'General case' 0 CA--C 1.513 -0.446 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.829 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.538 ' HA2' ' HG3' ' A' ' 60' ' ' GLU . . . -163.33 -168.52 25.43 Favored Glycine 0 N--CA 1.431 -1.659 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.551 -173.338 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -119.88 147.27 44.91 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 121.114 0.483 . . . . 0.0 109.765 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.8 ' HZ ' ' HB3' ' A' ' 48' ' ' SER . 47.4 t80 -86.26 114.13 22.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.595 -179.05 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 46' ' ' ARG . 3.8 mmp_? -88.55 -57.81 2.78 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.914 0.388 . . . . 0.0 111.262 -177.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -153.59 155.44 36.12 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.517 0.675 . . . . 0.0 109.735 -174.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.8 ' HB3' ' HZ ' ' A' ' 45' ' ' PHE . 9.3 p . . . . . 0 N--CA 1.443 -0.807 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.219 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.574 ' HA ' ' HD1' ' A' ' 70' ' ' TRP . 4.5 Cg_endo . . . . . 0 CA--C 1.549 1.274 0 N-CA-C 116.543 1.709 . . . . 0.0 116.543 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 10.3 Cg_endo -55.72 126.34 22.11 Favored 'Trans proline' 0 C--N 1.367 1.543 0 C-N-CA 121.888 1.725 . . . . 0.0 113.728 -177.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.935 HG11 HD11 ' A' ' 73' ' ' LEU . 13.6 p -130.34 140.65 48.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.247 177.673 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.407 ' HG2' ' HB2' ' A' ' 46' ' ' ARG . 55.3 tt0 -93.47 107.46 19.3 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -177.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.406 HG11 HG21 ' A' ' 28' ' ' VAL . 95.1 t -123.24 132.82 70.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 121.306 0.574 . . . . 0.0 110.391 -178.044 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.467 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 89.6 t80 -90.65 112.77 24.63 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 175.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.418 ' HZ2' HG21 ' A' ' 68' ' ' VAL . 98.2 m95 -91.04 118.38 30.35 Favored 'General case' 0 C--O 1.214 -0.783 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.238 -178.158 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.538 ' HG3' ' HA2' ' A' ' 43' ' ' GLY . 42.2 mt-10 -70.64 -35.9 73.15 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.059 -172.506 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.8 p -63.07 -39.24 94.14 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.116 0.484 . . . . 0.0 111.292 -178.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.4 m -86.75 -39.64 15.77 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-O 121.391 0.615 . . . . 0.0 109.828 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.27 25.32 16.75 Favored Glycine 0 N--CA 1.44 -1.045 0 CA-C-N 114.96 -1.018 . . . . 0.0 112.41 177.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.0 ptp85 -151.48 165.25 34.77 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 122.348 -0.501 . . . . 0.0 109.886 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.467 ' HA ' ' HA ' ' A' ' 58' ' ' PHE . 6.4 m -91.35 149.61 21.66 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.094 0.473 . . . . 0.0 110.631 -177.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -148.99 145.9 27.54 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.594 -177.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.581 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 20.5 m-90 -94.73 114.76 26.71 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.466 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.491 HG12 ' H ' ' A' ' 69' ' ' HIS . 2.7 t -110.39 175.99 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.223 -176.179 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.491 ' H ' HG12 ' A' ' 68' ' ' VAL . 33.7 m-70 -108.31 146.83 32.35 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 174.032 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.574 ' HD1' ' HA ' ' A' ' 53' ' ' PRO . 92.5 m95 -55.92 -40.74 73.53 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -173.013 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -68.39 -7.87 35.31 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 -170.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.588 ' HB2' ' HB3' ' A' ' 32' ' ' ASP . 16.4 ptp -114.9 16.07 17.27 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 120.873 0.368 . . . . 0.0 111.326 178.639 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.935 HD11 HG11 ' A' ' 55' ' ' VAL . 92.3 mt -101.22 128.67 47.23 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-O 121.092 0.472 . . . . 0.0 112.077 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.509 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . 8.5 tp10 -107.01 134.92 49.44 Favored 'General case' 0 N--CA 1.437 -1.115 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 173.327 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.416 HG22 ' HG ' ' A' ' 22' ' ' LEU . 25.9 pt -96.04 134.56 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.917 0 CA-C-O 121.464 0.649 . . . . 0.0 111.445 -173.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.0 mt . . . . . 0 C--N 1.314 -0.936 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.868 178.711 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 . . . . . 0 N--CA 1.451 -0.402 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.97 -32.24 69.47 Favored 'General case' 0 N--CA 1.453 -0.275 0 O-C-N 124.766 1.291 . . . . 0.0 111.926 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.9 tp -73.33 -42.96 61.68 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 121.842 0.83 . . . . 0.0 110.621 -177.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -64.07 -54.32 35.92 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 114.819 -1.082 . . . . 0.0 111.656 176.184 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.526 ' O ' ' HB3' ' A' ' 22' ' ' LEU . 35.0 m -60.97 -43.62 96.39 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.809 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.687 -176.729 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.499 ' HB2' ' CZ3' ' A' ' 70' ' ' TRP . 76.2 ttt180 -56.93 -30.45 64.01 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 118.46 0.573 . . . . 0.0 112.365 178.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -80.82 -53.23 6.66 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.4 -177.018 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.7 m -86.55 -38.86 16.76 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -172.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.879 HD13 HG12 ' A' ' 75' ' ' ILE . 58.1 tp -72.56 96.62 1.98 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.761 0.791 . . . . 0.0 110.656 -175.025 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -82.54 153.73 68.25 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.845 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -56.35 116.17 2.99 Favored 'Trans proline' 0 CA--C 1.532 0.385 0 C-N-CA 123.091 2.528 . . . . 0.0 111.396 173.051 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.08 -13.8 16.58 Favored Glycine 0 N--CA 1.439 -1.113 0 C-N-CA 120.881 -0.675 . . . . 0.0 111.783 -175.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.483 ' HB2' HD12 ' A' ' 22' ' ' LEU . 47.4 mtt -79.31 141.17 37.24 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.415 0.626 . . . . 0.0 110.318 176.238 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.497 ' O ' ' HB2' ' A' ' 76' ' ' LEU . 44.5 ttt180 -79.75 147.22 31.96 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.709 -178.084 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.5 m -129.03 157.07 41.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.986 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.456 ' HB2' HD21 ' A' ' 76' ' ' LEU . 39.5 ttm180 -126.68 132.47 51.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.157 -178.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.544 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 14.8 tpt -87.16 128.42 35.13 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.752 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.454 HD23 ' HG2' ' A' ' 74' ' ' GLU . 0.4 OUTLIER -115.18 14.57 16.99 Favored 'General case' 0 C--N 1.311 -1.074 0 C-N-CA 120.509 -0.476 . . . . 0.0 111.396 -179.854 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.404 ' H ' ' HG3' ' A' ' 30' ' ' MET . 35.3 t70 -140.1 156.28 46.64 Favored 'General case' 0 C--O 1.248 0.999 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.142 -178.389 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -95.51 123.42 39.04 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -159.2 102.71 1.61 Allowed 'General case' 0 C--O 1.235 0.338 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -175.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 73.53 -26.22 0.19 Allowed 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 159.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -175.53 -38.5 0.01 OUTLIER 'General case' 0 C--N 1.311 -1.093 0 CA-C-O 121.354 0.597 . . . . 0.0 109.699 -169.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.464 HG22 ' HG2' ' A' ' 30' ' ' MET . 15.9 mm -95.54 146.72 6.61 Favored 'Isoleucine or valine' 0 C--O 1.245 0.838 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.253 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.9 m -123.72 167.29 14.21 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.923 0.392 . . . . 0.0 110.308 -176.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.03 125.95 27.95 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.264 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.2 -16.49 42.04 Favored Glycine 0 C--O 1.225 -0.463 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.08 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -73.98 153.05 39.9 Favored 'General case' 0 C--O 1.213 -0.867 0 CA-C-O 121.209 0.528 . . . . 0.0 109.798 176.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.504 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 41.8 mt-10 -131.65 161.48 32.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.645 -177.497 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -162.68 -171.6 29.08 Favored Glycine 0 N--CA 1.453 -0.205 0 CA-C-N 114.854 -1.067 . . . . 0.0 111.528 178.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -116.02 142.12 47.21 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 117.004 0.402 . . . . 0.0 110.409 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -88.3 124.34 33.8 Favored 'General case' 0 C--N 1.315 -0.932 0 O-C-N 124.011 0.82 . . . . 0.0 110.635 -178.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.425 ' CD ' ' HB2' ' A' ' 58' ' ' PHE . 17.2 mtp180 -106.51 -55.05 2.38 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -148.21 152.8 37.84 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.423 -0.511 . . . . 0.0 112.076 -169.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.501 ' HB3' ' CH2' ' A' ' 70' ' ' TRP . 42.5 m . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.853 172.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo . . . . . 0 CA--C 1.538 0.683 0 N-CA-C 115.068 1.142 . . . . 0.0 115.068 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -54.7 130.49 40.63 Favored 'Trans proline' 0 CA--C 1.546 1.106 0 C-N-CA 121.932 1.754 . . . . 0.0 113.675 -178.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.607 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 14.9 p -130.65 136.84 57.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.053 -0.976 . . . . 0.0 108.968 173.294 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -98.0 109.35 22.12 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.569 0.7 . . . . 0.0 110.724 -171.124 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 96.9 t -121.05 138.68 50.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.428 -177.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.425 ' HB2' ' CD ' ' A' ' 46' ' ' ARG . 88.7 t80 -92.72 109.63 21.06 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 176.524 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.544 ' CH2' ' HB2' ' A' ' 30' ' ' MET . 99.8 m95 -89.37 117.28 28.19 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 -176.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 10.7 pt-20 -72.33 -19.62 61.62 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.003 -0.998 . . . . 0.0 110.015 -176.15 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.5 t -67.59 -45.77 74.53 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.47 178.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.5 m -93.85 -25.86 17.16 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.738 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.71 28.06 55.66 Favored Glycine 0 N--CA 1.437 -1.239 0 N-CA-C 111.975 -0.45 . . . . 0.0 111.975 -176.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -136.0 156.23 49.05 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.375 -0.413 . . . . 0.0 111.613 -175.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 p -83.49 136.06 34.43 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 121.435 0.636 . . . . 0.0 109.573 171.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.437 ' HB3' ' CD1' ' A' ' 59' ' ' TRP . 44.3 t80 -141.56 147.12 37.18 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.582 -175.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.607 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 32.6 m-90 -98.29 115.5 28.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 123.545 0.528 . . . . 0.0 110.288 176.635 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.532 ' O ' HG12 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -114.48 -178.41 1.07 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.701 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -177.743 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.666 ' O ' ' HG2' ' A' ' 72' ' ' MET . 27.8 m170 -98.43 136.43 38.58 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 120.27 -0.572 . . . . 0.0 109.981 172.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.501 ' CH2' ' HB3' ' A' ' 48' ' ' SER . 25.9 m95 -45.25 -51.85 10.29 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.384 0.674 . . . . 0.0 112.57 178.6 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 27.7 p80 -72.27 -6.21 41.44 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -170.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.666 ' HG2' ' O ' ' A' ' 69' ' ' HIS . 15.5 ptm -107.71 19.45 20.12 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 121.623 -0.673 . . . . 0.0 110.99 -176.05 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 70' ' ' TRP . 4.2 pp -136.29 154.76 50.79 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 120.437 -0.505 . . . . 0.0 111.332 178.006 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.454 ' HG2' HD23 ' A' ' 31' ' ' LEU . 4.5 mm-40 -101.66 140.33 36.09 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.953 178.444 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.879 HG12 HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -94.77 121.12 45.08 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 CA-C-O 122.074 0.94 . . . . 0.0 109.925 178.793 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.497 ' HB2' ' O ' ' A' ' 27' ' ' ARG . 4.4 mm? . . . . . 0 CA--C 1.515 -0.382 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.241 177.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.478 ' OH ' HD11 ' A' ' 31' ' ' LEU . 36.5 t80 . . . . . 0 C--O 1.245 0.816 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.717 ' O ' ' HG3' ' A' ' 19' ' ' ARG . . . -55.0 -38.96 68.55 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.852 0.72 . . . . 0.0 112.059 175.514 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.4 tp -66.76 -46.3 75.83 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 121.61 0.719 . . . . 0.0 110.595 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -58.76 -53.94 52.65 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.702 -1.135 . . . . 0.0 110.733 -178.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.0 m -60.75 -42.27 91.52 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 CA-C-N 115.756 -0.657 . . . . 0.0 112.378 -174.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.717 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 47.9 mtm180 -55.35 -41.68 72.83 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 121.266 0.555 . . . . 0.0 111.836 179.2 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -83.57 -45.11 13.9 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.57 -175.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.3 m -81.32 -33.56 32.43 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -172.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.796 HD11 HG12 ' A' ' 28' ' ' VAL . 2.3 tt -95.26 95.46 8.52 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.612 0.72 . . . . 0.0 109.457 -175.594 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -91.72 158.3 40.39 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.559 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -51.06 123.22 11.4 Favored 'Trans proline' 0 C--O 1.24 0.614 0 C-N-CA 123.0 2.466 . . . . 0.0 111.57 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.79 -27.1 8.06 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.129 -176.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.492 ' HB2' HD23 ' A' ' 22' ' ' LEU . 16.3 mmt -73.21 137.79 45.23 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 178.39 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.551 ' HG3' ' O ' ' A' ' 43' ' ' GLY . 36.1 ttm180 -75.37 147.53 39.96 Favored 'General case' 0 C--O 1.242 0.696 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.861 173.782 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.796 HG12 HD11 ' A' ' 22' ' ' LEU . 20.9 m -122.79 156.18 28.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 O-C-N 123.424 0.452 . . . . 0.0 110.155 -176.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -126.31 139.88 52.96 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.334 0.588 . . . . 0.0 110.09 170.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 12.9 tpt -84.95 122.83 29.76 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.053 -177.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.763 HD21 ' HB2' ' A' ' 74' ' ' GLU . 75.9 mt -79.32 -39.47 32.73 Favored 'General case' 0 C--O 1.243 0.712 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -175.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -129.36 159.85 34.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.51 -173.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.437 ' HA ' ' HA ' ' A' ' 38' ' ' SER . 12.0 m-20 -78.78 125.24 29.1 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -151.05 100.87 2.83 Favored 'General case' 0 C--N 1.311 -1.068 0 C-N-CA 119.722 -0.791 . . . . 0.0 112.317 -169.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 69.27 -26.11 0.15 Allowed 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 163.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -167.48 -40.13 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.449 0.642 . . . . 0.0 109.856 -169.135 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 29.5 mm -101.66 153.17 5.13 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.206 0 CA-C-N 113.908 -1.496 . . . . 0.0 108.534 -175.051 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.437 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 0.4 OUTLIER -121.07 164.36 16.92 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.298 -177.328 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.93 130.37 44.47 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.92 -17.15 42.2 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 120.238 -0.982 . . . . 0.0 112.505 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -71.96 155.25 40.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.499 0.666 . . . . 0.0 110.391 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -137.36 160.05 40.2 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.348 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.551 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -162.27 -170.72 27.45 Favored Glycine 0 N--CA 1.443 -0.877 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.382 -177.473 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -119.88 140.85 50.2 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 117.697 0.749 . . . . 0.0 109.925 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.482 ' CD2' HD22 ' A' ' 22' ' ' LEU . 5.8 t80 -86.62 121.81 29.65 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -175.72 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 42.2 mtp85 -104.92 -57.07 2.08 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 120.416 -0.514 . . . . 0.0 111.462 -178.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -147.41 150.03 33.88 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.452 0.644 . . . . 0.0 111.237 -168.283 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 53.0 p . . . . . 0 C--N 1.316 -0.883 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 171.175 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.699 ' HA ' ' HD1' ' A' ' 70' ' ' TRP . 3.7 Cg_exo . . . . . 0 CA--C 1.548 1.18 0 N-CA-C 115.707 1.387 . . . . 0.0 115.707 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.43 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 15.4 Cg_endo -60.3 126.88 21.25 Favored 'Trans proline' 0 C--N 1.361 1.207 0 C-N-CA 121.592 1.528 . . . . 0.0 113.045 177.593 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.597 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 7.6 p -130.64 141.05 47.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.936 -176.739 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.558 ' OE1' ' HB ' ' A' ' 65' ' ' THR . 6.1 tp-100 -95.91 107.98 20.3 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 120.934 0.397 . . . . 0.0 110.089 -177.051 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.408 HG11 HG21 ' A' ' 28' ' ' VAL . 95.1 t -121.37 133.22 68.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.908 -177.103 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -89.26 118.14 28.74 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 174.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -91.07 112.77 24.81 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.306 -176.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.469 ' H ' ' HA2' ' A' ' 43' ' ' GLY . 34.5 mt-10 -68.7 -36.99 79.19 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.336 0.588 . . . . 0.0 110.735 -176.476 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.5 t -61.43 -39.32 90.38 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.658 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.9 m -90.07 -54.58 3.97 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 121.239 0.543 . . . . 0.0 111.517 -178.012 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.37 20.83 6.82 Favored Glycine 0 N--CA 1.441 -1.007 0 CA-C-N 115.195 -0.912 . . . . 0.0 112.265 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -141.66 160.96 39.09 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.36 0.6 . . . . 0.0 110.299 -178.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.558 ' HB ' ' OE1' ' A' ' 56' ' ' GLN . 12.3 p -86.56 156.59 20.0 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.196 171.126 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -159.12 146.47 17.35 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.597 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 13.3 m-90 -89.5 114.61 26.15 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 177.156 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.586 HG12 ' H ' ' A' ' 69' ' ' HIS . 1.4 t -111.87 -155.02 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.966 -174.667 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.586 ' H ' HG12 ' A' ' 68' ' ' VAL . 61.2 m-70 -138.8 135.33 34.51 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 -172.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.699 ' HD1' ' HA ' ' A' ' 53' ' ' PRO . 96.9 m95 -51.54 -48.67 62.96 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -179.304 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -70.89 -0.04 8.32 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -171.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 16.5 ptp -122.31 14.61 10.46 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.079 0.854 . . . . 0.0 112.925 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.0 mt -112.3 134.67 53.71 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-O 120.617 0.246 . . . . 0.0 110.612 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.763 ' HB2' HD21 ' A' ' 31' ' ' LEU . 77.7 tt0 -94.12 130.43 40.31 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 176.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.521 HG12 ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -78.6 118.16 25.33 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 CA-C-O 121.486 0.66 . . . . 0.0 109.427 176.585 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 24.1 tp . . . . . 0 C--N 1.311 -1.09 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.404 -179.822 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.481 ' CD2' ' HA ' ' A' ' 71' ' ' HIS . 61.5 t80 . . . . . 0 N--CA 1.444 -0.734 0 N-CA-C 110.11 -0.329 . . . . 0.0 110.11 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.67 -32.75 69.4 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.99 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.0 tp -73.59 -46.25 48.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.634 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -59.29 -53.05 62.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.774 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.5 m -61.59 -40.35 86.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.56 177.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.6 ttt180 -57.76 -47.16 83.27 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.387 0.613 . . . . 0.0 111.945 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -74.73 -20.47 59.82 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.252 -0.885 . . . . 0.0 112.18 -175.182 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 m -99.78 -29.6 12.53 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.63 0.729 . . . . 0.0 111.468 -176.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.436 HD13 HG13 ' A' ' 75' ' ' ILE . 32.6 tp -79.03 105.86 10.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.547 -176.27 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -86.14 151.07 53.69 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.195 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -55.68 126.26 21.87 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 122.752 2.301 . . . . 0.0 111.522 176.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.78 -17.67 38.52 Favored Glycine 0 C--N 1.314 -0.693 0 O-C-N 124.063 0.852 . . . . 0.0 112.613 -177.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 41.9 mtt -71.04 144.95 50.21 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.077 0.465 . . . . 0.0 111.096 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -83.79 143.02 30.24 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.081 176.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.3 m -126.98 158.91 37.63 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.729 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 29' ' ' ARG . 27.7 ttp180 -129.47 136.87 50.43 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-O 121.068 0.461 . . . . 0.0 112.094 173.378 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.464 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . 10.3 tpt -71.74 130.97 42.42 Favored 'General case' 0 CA--C 1.5 -0.967 0 CA-C-N 115.006 -0.997 . . . . 0.0 108.994 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.7 tp -113.37 -20.98 11.13 Favored 'General case' 0 N--CA 1.435 -1.186 0 O-C-N 124.341 1.026 . . . . 0.0 109.978 -171.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.551 ' HB3' ' HB2' ' A' ' 72' ' ' MET . 27.8 t70 -114.16 150.04 34.79 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.052 178.458 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -95.19 144.15 26.03 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.164 0.507 . . . . 0.0 110.396 -177.043 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -158.67 155.5 28.25 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.31 -174.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.413 ' CD ' ' H ' ' A' ' 35' ' ' GLU . 2.6 mp0 -48.17 -42.42 29.62 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 179.688 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.442 ' HG3' ' CE1' ' A' ' 66' ' ' TYR . 39.0 mm-40 -77.07 -62.15 1.75 Allowed 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 120.861 0.362 . . . . 0.0 111.549 -178.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 32.4 mm -116.78 149.96 18.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.45 -175.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.6 m -122.75 151.54 41.5 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -172.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.17 135.47 57.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.091 0.472 . . . . 0.0 110.745 -176.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.16 -18.51 45.56 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.388 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -68.67 139.25 55.43 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 177.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.659 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 48.1 mt-10 -112.43 148.28 34.69 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.177 -178.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -152.28 176.87 30.37 Favored Glycine 0 CA--C 1.495 -1.193 0 C-N-CA 119.694 -1.241 . . . . 0.0 112.59 -177.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -108.26 143.32 37.26 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -89.72 115.27 26.95 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 175.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -100.12 -53.8 3.05 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 123.718 0.636 . . . . 0.0 110.684 -176.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.5 ' O ' ' HB3' ' A' ' 56' ' ' GLN . 5.0 pp0? -170.99 165.14 7.6 Favored 'General case' 0 C--N 1.316 -0.882 0 O-C-N 124.382 1.051 . . . . 0.0 109.397 -178.25 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.544 ' OG ' HG23 ' A' ' 55' ' ' VAL . 53.0 m . . . . . 0 CA--C 1.508 -0.645 0 O-C-N 121.356 -0.84 . . . . 0.0 111.615 178.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.521 ' HA ' ' HD1' ' A' ' 70' ' ' TRP . 6.4 Cg_endo . . . . . 0 N--CA 1.479 0.655 0 N-CA-C 117.119 1.93 . . . . 0.0 117.119 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 12.4 Cg_endo -55.42 116.4 3.12 Favored 'Trans proline' 0 C--N 1.367 1.52 0 C-N-CA 121.779 1.653 . . . . 0.0 113.643 -176.757 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.544 HG23 ' OG ' ' A' ' 48' ' ' SER . 7.7 p -119.57 128.28 75.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.693 174.527 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.5 ' HB3' ' O ' ' A' ' 47' ' ' GLN . 6.4 tp60 -95.02 110.63 22.52 Favored 'General case' 0 C--O 1.24 0.565 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -176.7 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.407 HG21 HD21 ' A' ' 73' ' ' LEU . 94.6 t -123.74 140.93 45.73 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.11 -173.424 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -94.87 110.39 22.28 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 174.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.464 ' CZ3' ' HB2' ' A' ' 30' ' ' MET . 89.4 m95 -94.71 125.65 39.51 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.777 -175.608 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.659 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 11.7 pt-20 -71.14 -44.13 66.17 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -171.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.5 m -63.76 -41.52 97.98 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.836 0.827 . . . . 0.0 111.349 -175.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.8 m -81.84 -23.04 36.65 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 122.24 1.019 . . . . 0.0 109.853 176.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 61.27 33.93 86.27 Favored Glycine 0 CA--C 1.51 -0.276 0 CA-C-N 114.898 -1.046 . . . . 0.0 111.729 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 64' ' ' ARG . 21.8 mtp85 -139.02 151.44 46.81 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 123.541 0.736 . . . . 0.0 111.194 -177.377 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.7 p -84.27 144.47 28.88 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.612 0.72 . . . . 0.0 110.134 171.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.442 ' CE1' ' HG3' ' A' ' 36' ' ' GLU . 59.2 t80 -152.36 144.46 23.84 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -177.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.457 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 13.3 m-90 -90.91 114.5 26.98 Favored 'General case' 0 C--O 1.242 0.681 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 177.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -111.47 179.69 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.209 -176.237 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.614 ' O ' ' HG2' ' A' ' 72' ' ' MET . 17.4 m-70 -102.63 136.27 42.76 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 121.461 -0.775 . . . . 0.0 109.663 173.384 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.521 ' HD1' ' HA ' ' A' ' 53' ' ' PRO . 94.7 m95 -51.1 -38.21 50.42 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -176.337 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.481 ' HA ' ' CD2' ' A' ' 14' ' ' TYR . 27.1 p80 -67.91 -14.97 63.39 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -170.763 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.614 ' HG2' ' O ' ' A' ' 69' ' ' HIS . 9.9 ptm -107.64 13.46 26.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 121.817 -0.552 . . . . 0.0 111.379 -175.699 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.407 HD21 HG21 ' A' ' 57' ' ' VAL . 9.8 mp -114.33 137.65 51.54 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.199 0.523 . . . . 0.0 110.866 177.401 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -96.96 130.73 44.24 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 174.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.436 HG13 HD13 ' A' ' 22' ' ' LEU . 10.5 tt -89.22 126.48 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.345 -175.687 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.404 HD11 ' HB2' ' A' ' 29' ' ' ARG . 63.2 mt . . . . . 0 N--CA 1.444 -0.733 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.742 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.569 ' OH ' ' HA ' ' A' ' 74' ' ' GLU . 81.7 t80 . . . . . 0 N--CA 1.463 0.177 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.573 ' HB1' ' HB2' ' A' ' 70' ' ' TRP . . . -60.3 -31.43 70.25 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.871 175.624 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.5 tp -70.77 -36.23 72.97 Favored 'General case' 0 N--CA 1.434 -1.244 0 CA-C-O 121.447 0.641 . . . . 0.0 110.157 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -64.86 -52.19 57.98 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.596 -1.184 . . . . 0.0 110.859 178.205 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.424 HG22 ' HA ' ' A' ' 15' ' ' ALA . 35.3 m -63.52 -34.21 66.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.488 ' HA ' ' CZ3' ' A' ' 70' ' ' TRP . 0.2 OUTLIER -54.13 -43.93 70.9 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.84 0.352 . . . . 0.0 110.196 173.456 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -77.56 -55.25 5.52 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.482 -175.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.4 m -89.36 -33.47 16.87 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -167.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.686 HD11 HG12 ' A' ' 28' ' ' VAL . 2.2 tt -79.34 98.4 6.69 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -176.203 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -93.76 162.63 26.67 Favored Pre-proline 0 N--CA 1.445 -0.684 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.078 -176.405 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.29 121.67 10.34 Favored 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 123.399 2.733 . . . . 0.0 111.621 174.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.29 -26.01 8.93 Favored Glycine 0 N--CA 1.439 -1.118 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -176.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 39.8 mtt -77.89 134.75 37.86 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.217 0.532 . . . . 0.0 111.1 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.601 ' HG3' ' O ' ' A' ' 43' ' ' GLY . 38.1 ttm180 -67.94 148.43 51.1 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.627 176.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.686 HG12 HD11 ' A' ' 22' ' ' LEU . 27.1 m -126.22 154.0 35.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.713 -178.682 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.737 ' HB3' ' HB3' ' A' ' 74' ' ' GLU . 43.4 ttm180 -120.39 124.59 45.88 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.985 177.497 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.553 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 12.3 tpt -78.03 119.16 21.08 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.258 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.689 HD11 ' HB2' ' A' ' 74' ' ' GLU . 93.0 mt -101.03 16.76 24.3 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 -175.018 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -161.55 151.58 17.07 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 121.731 -0.605 . . . . 0.0 110.735 -176.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.563 ' HA ' ' HA ' ' A' ' 38' ' ' SER . 12.0 t70 -89.9 126.43 35.71 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 176.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -153.49 103.75 2.68 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -170.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 69.99 -15.18 0.34 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.314 1.446 . . . . 0.0 114.297 166.211 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.538 ' HG3' HG12 ' A' ' 37' ' ' ILE . 9.8 pt-20 172.8 -31.38 0.0 OUTLIER 'General case' 0 C--O 1.24 0.594 0 CA-C-O 121.435 0.636 . . . . 0.0 110.655 -175.75 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.542 HG22 ' HG2' ' A' ' 30' ' ' MET . 36.1 mm -95.48 151.76 3.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 -179.214 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.563 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 47.2 p -124.65 167.79 14.05 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 118.673 0.67 . . . . 0.0 110.609 -175.478 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.09 128.19 35.11 Favored 'General case' 0 N--CA 1.427 -1.58 0 CA-C-O 121.473 0.654 . . . . 0.0 109.384 178.176 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.72 -13.6 46.23 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.894 -177.322 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -66.48 130.31 42.77 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 172.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -116.39 147.82 41.27 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.634 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.601 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -154.33 -170.42 20.18 Favored Glycine 0 C--N 1.308 -0.982 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.959 -171.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -125.73 147.82 49.25 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 117.551 0.676 . . . . 0.0 109.824 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -94.07 121.75 35.87 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -175.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.445 ' HB2' ' OE1' ' A' ' 47' ' ' GLN . 20.8 mtm180 -108.61 -47.61 3.46 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.202 -0.599 . . . . 0.0 112.413 -175.737 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.612 ' HG2' ' HB3' ' A' ' 56' ' ' GLN . 0.5 OUTLIER -157.21 160.45 38.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.994 0.426 . . . . 0.0 111.613 -174.636 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.32 -0.698 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.947 175.548 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.457 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 33.9 Cg_exo . . . . . 0 CA--C 1.536 0.581 0 N-CA-C 114.273 0.836 . . . . 0.0 114.273 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.457 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 10.5 Cg_endo -54.62 115.22 2.25 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 122.093 1.862 . . . . 0.0 113.54 -176.485 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.715 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 11.7 p -129.57 139.57 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.953 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.658 177.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.612 ' HB3' ' HG2' ' A' ' 47' ' ' GLN . 4.7 tp-100 -96.36 109.23 21.79 Favored 'General case' 0 C--O 1.254 1.302 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.332 -175.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.504 HG21 HD21 ' A' ' 73' ' ' LEU . 96.3 t -118.77 136.11 57.03 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 -178.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -95.21 115.5 27.51 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 175.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.553 ' CH2' ' HB2' ' A' ' 30' ' ' MET . 95.2 m95 -87.1 113.29 22.71 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -177.595 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.525 ' HG3' ' HA2' ' A' ' 43' ' ' GLY . 41.9 mt-10 -70.2 -38.34 75.28 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.356 0.598 . . . . 0.0 110.609 -172.327 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.7 p -66.03 -35.07 79.55 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.544 -178.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.69 -53.36 4.45 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 121.471 0.653 . . . . 0.0 110.465 179.389 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.41 16.05 12.78 Favored Glycine 0 N--CA 1.438 -1.173 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.457 179.083 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.6 mtm-85 -130.37 154.49 47.63 Favored 'General case' 0 CA--C 1.515 -0.367 0 O-C-N 122.524 -0.398 . . . . 0.0 110.612 -178.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.5 p -87.11 149.06 24.94 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 121.767 0.794 . . . . 0.0 110.83 171.176 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -150.68 145.44 25.83 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.492 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.715 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 4.7 m-90 -88.95 114.82 25.99 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 174.334 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.49 ' O ' HG12 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -112.2 178.21 1.4 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.123 -175.131 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.537 ' HB2' ' SD ' ' A' ' 72' ' ' MET . 38.0 m170 -103.69 135.93 44.33 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.449 174.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.573 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . 63.7 m95 -49.46 -44.77 45.96 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -174.222 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -65.84 -9.04 25.35 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -172.06 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.537 ' SD ' ' HB2' ' A' ' 69' ' ' HIS . 2.9 ptm -109.66 9.36 25.03 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.561 0.696 . . . . 0.0 111.585 -177.203 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.504 HD21 HG21 ' A' ' 57' ' ' VAL . 10.8 mp -108.93 135.98 49.22 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.889 178.409 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.737 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . 30.6 tt0 -103.47 141.56 35.77 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 173.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.556 HG13 ' HG ' ' A' ' 22' ' ' LEU . 6.8 tt -91.21 131.02 39.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 120.981 0.42 . . . . 0.0 111.814 -174.494 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 29' ' ' ARG . 8.6 mp . . . . . 0 C--N 1.323 -0.569 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 176.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.474 ' O ' HG12 ' A' ' 18' ' ' VAL . 65.5 t80 . . . . . 0 C--O 1.23 0.077 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.96 -32.49 61.55 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 111.323 173.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.2 tp -73.26 -41.91 63.13 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.071 177.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -61.13 -49.06 78.78 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.632 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.612 HG23 ' CG2' ' A' ' 75' ' ' ILE . 2.5 p -62.21 -42.67 96.11 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.205 178.034 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.573 ' HD3' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -65.67 -37.08 85.5 Favored 'General case' 0 C--O 1.246 0.904 0 CA-C-O 120.566 0.222 . . . . 0.0 110.428 177.61 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -70.3 -28.5 65.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.134 0.492 . . . . 0.0 111.478 -178.433 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.2 m -90.32 -39.96 12.4 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.567 -176.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 22' ' ' LEU . 16.8 mt -69.84 103.59 2.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 122.49 1.138 . . . . 0.0 112.249 -175.799 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -79.75 142.92 57.5 Favored Pre-proline 0 N--CA 1.44 -0.948 0 CA-C-N 114.408 -1.269 . . . . 0.0 109.864 171.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -50.58 107.92 0.19 Allowed 'Trans proline' 0 C--O 1.238 0.525 0 C-N-CA 123.313 2.675 . . . . 0.0 112.132 175.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.42 -16.11 9.85 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.142 -175.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 46.9 mtt -68.77 143.17 54.73 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 120.725 0.297 . . . . 0.0 111.462 177.027 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.71 ' HG3' ' O ' ' A' ' 43' ' ' GLY . 10.2 ttm180 -85.05 148.03 26.36 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.277 0.56 . . . . 0.0 110.561 -178.328 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.7 m -129.1 155.15 40.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.977 0.894 . . . . 0.0 110.548 -176.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.458 ' HB3' ' HB3' ' A' ' 74' ' ' GLU . 51.4 ttt-85 -121.1 137.45 54.66 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.449 176.702 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.536 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . 12.7 tpt -85.52 118.48 25.07 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 123.067 0.547 . . . . 0.0 110.03 -179.546 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.503 HD11 ' HB2' ' A' ' 74' ' ' GLU . 89.7 mt -93.22 -18.12 22.88 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -177.101 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.534 ' HB3' ' HE2' ' A' ' 72' ' ' MET . 31.8 t70 -122.09 153.83 38.16 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.543 -0.169 . . . . 0.0 110.543 -171.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -100.39 121.8 42.1 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 175.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -160.95 108.51 1.52 Allowed 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 113.086 0.772 . . . . 0.0 113.086 -167.078 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 67.44 -23.72 0.12 Allowed 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 163.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -169.07 -47.23 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 122.521 1.153 . . . . 0.0 110.053 -168.093 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.452 HG22 ' HG2' ' A' ' 30' ' ' MET . 20.5 mm -99.34 151.42 4.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.801 -175.502 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.8 m -114.9 159.72 20.36 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -175.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.56 132.07 45.66 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.81 -11.14 52.95 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.212 -177.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -70.13 150.92 46.03 Favored 'General case' 0 N--CA 1.442 -0.871 0 O-C-N 121.729 -0.865 . . . . 0.0 111.357 175.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -123.11 143.9 49.68 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -177.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.71 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -149.9 -177.05 23.57 Favored Glycine 0 C--N 1.311 -0.853 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 -176.187 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -130.5 145.68 51.9 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 117.199 0.499 . . . . 0.0 109.866 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -87.32 118.48 26.78 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 120.843 0.354 . . . . 0.0 110.55 -175.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.9 mtp180 -91.27 -56.67 3.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.014 177.026 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? 178.86 170.77 0.86 Allowed 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.754 -176.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.7 p . . . . . 0 C--N 1.314 -0.937 0 O-C-N 123.506 0.504 . . . . 0.0 110.613 178.684 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.704 ' HA ' ' HD1' ' A' ' 70' ' ' TRP . 6.8 Cg_exo . . . . . 0 CA--C 1.56 1.778 0 N-CA-C 115.278 1.222 . . . . 0.0 115.278 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -58.57 105.47 0.22 Allowed 'Trans proline' 0 C--N 1.365 1.428 0 C-N-CA 121.877 1.718 . . . . 0.0 112.569 175.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.575 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 6.9 p -122.04 136.42 58.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.098 -174.518 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -101.09 112.06 24.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.529 0.68 . . . . 0.0 110.463 -176.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.1 t -121.73 133.37 68.38 Favored 'Isoleucine or valine' 0 C--O 1.248 1.02 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.731 -176.445 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -97.59 129.98 44.66 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 174.363 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.536 ' CZ3' ' HB2' ' A' ' 30' ' ' MET . 95.1 m95 -98.61 120.72 39.52 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.682 -0.235 . . . . 0.0 110.912 -172.563 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.409 ' H ' ' HA2' ' A' ' 43' ' ' GLY . 6.5 mm-40 -61.0 -52.48 64.83 Favored 'General case' 0 C--N 1.313 -1.018 0 C-N-CA 123.422 0.689 . . . . 0.0 111.452 -179.077 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.0 p -64.23 -38.16 90.06 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.328 -0.851 . . . . 0.0 112.77 -176.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.5 m -88.24 -54.87 3.99 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 121.275 0.56 . . . . 0.0 111.051 -177.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.93 20.74 12.12 Favored Glycine 0 C--N 1.322 -0.199 0 CA-C-O 121.827 0.682 . . . . 0.0 112.463 176.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -131.86 144.27 50.76 Favored 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 122.336 -0.508 . . . . 0.0 109.704 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -80.38 142.3 34.53 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 110.474 -0.195 . . . . 0.0 110.474 175.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -148.94 147.24 28.4 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 123.318 0.386 . . . . 0.0 110.762 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.575 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 10.6 m0 -89.17 114.47 25.77 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 174.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.54 HG12 ' H ' ' A' ' 69' ' ' HIS . 0.8 OUTLIER -106.47 -156.7 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.366 -173.097 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.826 ' HB2' ' SD ' ' A' ' 72' ' ' MET . 52.6 m80 -138.75 132.71 31.15 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 -173.013 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.704 ' HD1' ' HA ' ' A' ' 53' ' ' PRO . 98.5 m95 -57.8 -39.01 76.54 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -174.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -62.77 -19.33 63.89 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -175.103 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.826 ' SD ' ' HB2' ' A' ' 69' ' ' HIS . 5.9 ptm -109.7 6.62 23.84 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-O 121.333 0.587 . . . . 0.0 112.21 -173.31 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.4 mt -103.22 130.71 50.52 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.086 -178.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.503 ' HB2' HD11 ' A' ' 31' ' ' LEU . 37.0 tt0 -101.2 131.74 47.04 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 175.568 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.612 ' CG2' HG23 ' A' ' 18' ' ' VAL . 39.5 pt -88.29 124.56 41.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 C-N-CA 119.909 -0.716 . . . . 0.0 111.297 -173.591 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.7 mt . . . . . 0 C--N 1.314 -0.962 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 176.379 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.0 t80 . . . . . 0 N--CA 1.438 -1.048 0 CA-C-O 120.991 0.424 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.497 ' HB2' ' HA ' ' A' ' 71' ' ' HIS . . . -63.35 -31.27 72.38 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 123.079 0.552 . . . . 0.0 110.694 178.447 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.7 tp -69.23 -43.27 74.36 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -59.99 -54.1 50.03 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.453 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.591 HG12 HG22 ' A' ' 75' ' ' ILE . 35.9 m -67.4 -49.4 71.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -178.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -57.96 -37.77 74.78 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -175.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -72.99 -33.23 65.68 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-O 120.71 0.291 . . . . 0.0 111.575 -178.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.4 m -100.51 -24.17 14.53 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -169.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.4 tp -65.55 103.91 0.92 Allowed 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.093 0.473 . . . . 0.0 110.939 -174.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -94.41 148.36 34.87 Favored Pre-proline 0 N--CA 1.445 -0.697 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.35 176.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -52.0 115.41 2.13 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 123.059 2.506 . . . . 0.0 111.252 174.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.6 -8.23 19.88 Favored Glycine 0 C--N 1.334 0.427 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -178.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 61.4 mtt -84.42 136.08 34.0 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.478 0.656 . . . . 0.0 111.16 174.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.7 mtt180 -68.89 160.55 30.48 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 122.114 0.959 . . . . 0.0 110.813 174.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.2 m -134.66 150.97 30.76 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.155 0 CA-C-N 114.787 -1.097 . . . . 0.0 109.835 177.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.473 ' HB3' ' HB3' ' A' ' 74' ' ' GLU . 40.4 ttt180 -124.66 127.48 47.38 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.945 177.737 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.556 ' HG2' HG22 ' A' ' 37' ' ' ILE . 13.4 tpt -77.93 122.45 25.52 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.55 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.467 HD11 ' HB2' ' A' ' 74' ' ' GLU . 83.2 mt -110.12 -4.17 15.97 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-O 121.268 0.556 . . . . 0.0 112.197 -178.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.403 ' HB3' ' HB2' ' A' ' 72' ' ' MET . 2.1 t70 -121.9 -176.74 3.4 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.853 -177.716 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -121.02 121.62 38.35 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.327 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -150.7 104.52 3.2 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.318 0.58 . . . . 0.0 111.425 -175.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 55.84 -112.25 0.69 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.363 174.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -81.51 -14.74 56.59 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.762 -175.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.556 HG22 ' HG2' ' A' ' 30' ' ' MET . 10.5 mm -104.33 149.79 7.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.2 t -143.5 169.48 17.62 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 -177.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.37 131.36 50.54 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 121.349 0.595 . . . . 0.0 112.254 -173.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.93 -16.23 43.32 Favored Glycine 0 C--N 1.313 -0.727 0 CA-C-N 114.929 -1.032 . . . . 0.0 112.712 174.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -66.51 148.11 52.34 Favored 'General case' 0 C--O 1.248 0.985 0 CA-C-N 117.127 0.463 . . . . 0.0 110.145 178.497 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -127.58 147.91 50.35 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 120.9 0.381 . . . . 0.0 110.328 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -148.42 174.55 28.06 Favored Glycine 0 N--CA 1.433 -1.508 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.879 -177.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -105.41 140.29 38.74 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 177.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.529 ' HE1' ' HB3' ' A' ' 48' ' ' SER . 68.9 t80 -95.87 117.49 30.68 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 122.054 -0.404 . . . . 0.0 110.396 -178.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -105.98 -47.14 3.93 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.977 -176.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.408 ' HG3' ' HB3' ' A' ' 56' ' ' GLN . 19.3 pt20 -158.84 156.62 29.99 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.489 -178.448 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.61 ' HB3' HG23 ' A' ' 55' ' ' VAL . 72.4 p . . . . . 0 C--N 1.312 -1.033 0 O-C-N 122.051 -0.405 . . . . 0.0 110.781 177.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.565 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 51.0 Cg_exo . . . . . 0 CA--C 1.545 1.058 0 N-CA-C 116.489 1.688 . . . . 0.0 116.489 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 9.6 Cg_endo -53.91 130.85 41.3 Favored 'Trans proline' 0 C--N 1.368 1.576 0 C-N-CA 122.609 2.206 . . . . 0.0 113.562 -177.553 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.61 HG23 ' HB3' ' A' ' 48' ' ' SER . 6.4 p -127.94 137.59 57.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 114.338 -1.301 . . . . 0.0 109.456 178.355 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.408 ' HB3' ' HG3' ' A' ' 47' ' ' GLN . 5.6 tp-100 -94.74 108.22 20.22 Favored 'General case' 0 N--CA 1.441 -0.893 0 O-C-N 121.599 -0.688 . . . . 0.0 110.43 -174.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.1 t -121.53 137.21 55.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.04 -177.391 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.449 ' HD2' HG23 ' A' ' 65' ' ' THR . 41.7 t80 -92.54 109.88 21.29 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 173.779 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.469 ' HZ2' HG21 ' A' ' 68' ' ' VAL . 99.2 m95 -80.38 114.0 18.96 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.473 -176.705 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -58.99 -47.17 86.16 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.021 0.825 . . . . 0.0 110.558 -177.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 m -57.23 -40.43 77.55 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.876 -176.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.8 m -87.83 -46.22 9.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.869 0.842 . . . . 0.0 111.515 -177.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.19 20.05 24.26 Favored Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.814 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -135.37 160.94 36.86 Favored 'General case' 0 C--O 1.238 0.481 0 O-C-N 121.969 -0.724 . . . . 0.0 110.605 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.449 HG23 ' HD2' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -88.8 144.11 26.45 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.302 0.572 . . . . 0.0 110.36 173.75 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -149.53 145.1 26.67 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.142 -173.156 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.578 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 16.9 m-90 -92.41 116.17 28.74 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 177.067 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.474 ' O ' HG12 ' A' ' 55' ' ' VAL . 2.0 t -111.29 175.34 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.672 -179.194 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.616 ' O ' ' HG2' ' A' ' 72' ' ' MET . 34.9 m-70 -100.02 137.59 38.26 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.849 -0.532 . . . . 0.0 110.139 173.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -47.26 -48.81 24.5 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -178.264 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.497 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . 23.8 p80 -65.21 -4.79 5.57 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 -169.029 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.616 ' HG2' ' O ' ' A' ' 69' ' ' HIS . 17.1 ptp -113.56 5.7 16.71 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 118.645 0.657 . . . . 0.0 112.242 -178.52 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.413 HD21 HG11 ' A' ' 68' ' ' VAL . 91.4 mt -111.55 141.03 45.65 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.582 0.706 . . . . 0.0 111.514 -177.29 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.473 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . 40.1 tt0 -102.41 139.87 37.44 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.223 174.378 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.591 HG22 HG12 ' A' ' 18' ' ' VAL . 5.6 tt -81.75 122.05 36.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 179.141 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.1 tt . . . . . 0 C--N 1.311 -1.096 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.758 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.2 t80 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.574 ' O ' ' HG3' ' A' ' 19' ' ' ARG . . . -59.49 -28.99 67.52 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.214 0.531 . . . . 0.0 111.609 177.155 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.4 tp -73.18 -43.62 61.13 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.941 0.877 . . . . 0.0 109.62 175.36 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -59.97 -44.61 94.35 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.38 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.456 HG22 ' HA ' ' A' ' 15' ' ' ALA . 32.9 m -61.93 -44.05 98.35 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.935 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.574 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 69.9 mtp180 -62.19 -30.29 70.97 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.042 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -63.34 -52.66 60.89 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.018 -177.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.516 ' HB ' HD12 ' A' ' 75' ' ' ILE . 9.1 m -92.58 -33.02 14.6 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.891 -174.123 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.596 HD23 HG22 ' A' ' 75' ' ' ILE . 0.3 OUTLIER -78.71 100.49 7.09 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 121.288 0.566 . . . . 0.0 110.6 -175.235 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.458 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 13.2 pt20 -104.3 169.37 7.32 Favored Pre-proline 0 C--N 1.313 -0.996 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.775 178.392 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.458 ' HD2' ' HB2' ' A' ' 23' ' ' GLN . 50.1 Cg_exo -54.39 128.54 30.5 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.302 2.001 . . . . 0.0 111.674 174.167 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.97 -10.66 70.08 Favored Glycine 0 CA--C 1.508 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.336 -178.139 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.526 ' CG ' HD22 ' A' ' 22' ' ' LEU . 49.5 tpp -80.65 138.48 36.4 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 121.425 0.631 . . . . 0.0 110.224 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.3 ttp85 -81.6 142.19 33.01 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.05 -177.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.453 HG12 HD21 ' A' ' 22' ' ' LEU . 28.4 m -124.75 160.74 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-O 121.655 0.741 . . . . 0.0 110.715 -175.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.926 ' HB2' HD21 ' A' ' 76' ' ' LEU . 14.8 ttt180 -125.92 135.07 51.46 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.424 174.205 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.479 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 12.7 tpt -79.71 121.44 25.34 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.834 -0.166 . . . . 0.0 110.669 -178.62 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.455 HD21 ' HB2' ' A' ' 74' ' ' GLU . 87.9 mt -84.37 -22.04 30.65 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.056 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -136.06 160.73 37.75 Favored 'General case' 0 C--O 1.215 -0.733 0 C-N-CA 120.097 -0.641 . . . . 0.0 110.674 -170.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.427 ' HA ' ' HA ' ' A' ' 38' ' ' SER . 11.6 t70 -91.33 129.22 37.34 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 176.387 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -153.96 98.88 2.21 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 -171.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 63.43 -12.3 0.09 Allowed 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 115.321 1.6 . . . . 0.0 115.321 167.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -177.17 -40.32 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.275 0 O-C-N 121.585 -0.697 . . . . 0.0 109.832 -174.24 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.443 HG22 ' HG2' ' A' ' 30' ' ' MET . 31.0 mm -98.15 150.19 4.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -177.496 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.427 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 70.5 m -122.74 162.76 21.42 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.357 -177.213 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.16 128.27 35.32 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.502 177.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.26 -18.1 39.55 Favored Glycine 0 CA--C 1.503 -0.671 0 C-N-CA 120.382 -0.914 . . . . 0.0 112.814 -179.309 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -66.99 141.93 57.42 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -119.53 149.77 41.36 Favored 'General case' 0 N--CA 1.444 -0.76 0 O-C-N 123.705 0.628 . . . . 0.0 110.631 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -158.85 -171.95 25.33 Favored Glycine 0 N--CA 1.439 -1.146 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -177.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -122.45 146.49 47.32 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.6 ' HE1' ' HB3' ' A' ' 48' ' ' SER . 61.5 t80 -92.31 124.1 36.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.838 178.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 46' ' ' ARG . 51.1 mtp180 -106.71 -55.63 2.3 Favored 'General case' 0 C--N 1.315 -0.931 0 O-C-N 123.709 0.631 . . . . 0.0 112.102 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -149.5 148.56 29.55 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-O 121.252 0.549 . . . . 0.0 110.742 -172.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.6 ' HB3' ' HE1' ' A' ' 45' ' ' PHE . 28.5 p . . . . . 0 N--CA 1.449 -0.504 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.65 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.573 ' HA ' ' HD1' ' A' ' 70' ' ' TRP . 41.2 Cg_exo . . . . . 0 CA--C 1.541 0.871 0 N-CA-C 115.979 1.492 . . . . 0.0 115.979 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -47.79 116.38 1.87 Allowed 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.789 2.326 . . . . 0.0 114.012 -176.185 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.56 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 5.6 p -130.14 133.92 63.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 123.771 0.669 . . . . 0.0 109.842 178.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -98.05 111.7 23.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.22 0.534 . . . . 0.0 110.16 -173.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.5 t -120.68 139.03 49.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.697 -176.408 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -91.21 114.03 26.45 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 174.04 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.479 ' CH2' ' HB2' ' A' ' 30' ' ' MET . 96.3 m95 -95.55 117.87 31.22 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.679 -178.446 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -76.56 -37.25 56.9 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.577 -171.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.18 -32.34 73.98 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.931 -175.688 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.2 p -95.51 -46.76 6.53 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.394 175.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 104.08 20.83 10.05 Favored Glycine 0 C--O 1.225 -0.426 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.703 176.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -129.69 148.48 51.58 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 117.053 0.427 . . . . 0.0 111.094 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.8 p -79.2 137.83 37.59 Favored 'General case' 0 C--O 1.249 1.028 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.48 171.014 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -144.99 141.34 28.86 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-O 120.463 0.173 . . . . 0.0 111.165 -174.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.56 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 27.9 m-90 -90.0 115.45 27.3 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 178.316 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.613 HG12 ' H ' ' A' ' 69' ' ' HIS . 1.3 t -106.38 -154.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 123.4 0.68 . . . . 0.0 109.476 -176.61 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.713 ' HB2' ' HG3' ' A' ' 72' ' ' MET . 46.2 m-70 -136.46 133.9 37.08 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 105.448 -2.056 . . . . 0.0 105.448 -176.293 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.573 ' HD1' ' HA ' ' A' ' 53' ' ' PRO . 97.6 m95 -43.55 -51.85 6.56 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -176.457 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -76.75 1.21 17.88 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -174.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.713 ' HG3' ' HB2' ' A' ' 69' ' ' HIS . 53.6 mtp -95.63 -8.05 35.94 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.557 -0.715 . . . . 0.0 109.67 177.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.1 mt -101.07 136.92 40.15 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.554 -175.011 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.455 ' HB2' HD21 ' A' ' 31' ' ' LEU . 43.9 tt0 -108.13 138.24 44.73 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 173.689 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.596 HG22 HD23 ' A' ' 22' ' ' LEU . 36.8 pt -98.27 130.61 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.898 0 CA-C-O 121.075 0.464 . . . . 0.0 111.309 -174.489 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.926 HD21 ' HB2' ' A' ' 29' ' ' ARG . 2.6 mm? . . . . . 0 C--O 1.24 0.562 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 172.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 77.8 t80 . . . . . 0 CA--C 1.514 -0.411 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.536 ' HB1' ' HB2' ' A' ' 70' ' ' TRP . . . -62.63 -38.84 91.8 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 123.497 0.719 . . . . 0.0 111.231 177.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 pp -74.74 -28.71 60.89 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-O 121.67 0.747 . . . . 0.0 110.244 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -64.47 -53.77 43.07 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.132 176.033 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.4 m -69.44 -31.75 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.902 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.273 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 47.0 ttp180 -50.4 -54.13 24.15 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 122.925 0.49 . . . . 0.0 110.751 176.123 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -75.77 -11.97 60.09 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.572 -175.299 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.5 m -99.09 -16.88 18.48 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 121.524 0.678 . . . . 0.0 110.457 -179.019 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.532 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 26.0 tp -85.72 105.96 16.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.161 -176.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -92.35 149.41 38.33 Favored Pre-proline 0 C--O 1.238 0.485 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.081 177.052 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -55.99 126.08 21.2 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.775 2.317 . . . . 0.0 112.23 175.012 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.57 -19.08 24.37 Favored Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 120.533 -0.842 . . . . 0.0 111.359 -176.069 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 50.7 mtt -75.92 135.68 40.1 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.539 0.685 . . . . 0.0 110.502 178.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.7 ttm-85 -82.71 144.38 30.27 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.782 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.458 ' CG2' HD11 ' A' ' 73' ' ' LEU . 27.0 m -128.69 160.09 39.63 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.479 0 CA-C-N 115.573 -0.74 . . . . 0.0 112.193 -175.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.547 ' HE ' ' HG2' ' A' ' 42' ' ' GLU . 20.7 tpp85 -121.03 133.68 55.26 Favored 'General case' 0 C--N 1.31 -1.129 0 O-C-N 124.476 1.11 . . . . 0.0 110.214 179.236 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.474 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 14.4 tpt -84.87 122.66 29.48 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.612 0.72 . . . . 0.0 110.15 176.52 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.7 mp -100.8 2.28 41.01 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.685 -175.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -144.97 156.25 43.85 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 118.081 0.4 . . . . 0.0 111.037 -176.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -91.06 122.25 33.56 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 177.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -144.92 97.28 2.99 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 123.563 0.54 . . . . 0.0 110.684 -169.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 58.05 -114.69 0.79 Allowed 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.279 0.562 . . . . 0.0 111.946 -177.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -75.79 -23.08 55.85 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.615 -174.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.47 HG22 ' HG2' ' A' ' 30' ' ' MET . 35.0 mm -95.28 147.32 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.856 -176.627 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.3 p -122.97 164.92 17.61 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.103 0.478 . . . . 0.0 109.907 -177.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.39 133.16 48.25 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.959 177.249 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.24 -15.12 57.98 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.586 -177.568 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -62.14 145.46 53.32 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.544 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.547 ' HG2' ' HE ' ' A' ' 29' ' ' ARG . 43.8 mt-10 -125.73 146.36 49.79 Favored 'General case' 0 CA--C 1.51 -0.562 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.019 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.412 ' HA2' ' HG3' ' A' ' 60' ' ' GLU . . . -153.46 -178.01 27.56 Favored Glycine 0 C--N 1.313 -0.698 0 C-N-CA 120.329 -0.939 . . . . 0.0 112.22 -177.226 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -116.58 141.03 48.72 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 115.161 -0.52 . . . . 0.0 109.644 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.532 ' CD2' ' HG ' ' A' ' 22' ' ' LEU . 60.7 t80 -93.09 124.63 37.2 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 -178.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -116.6 -43.29 2.92 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -176.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -145.09 148.87 34.13 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 119.382 -0.927 . . . . 0.0 112.158 -177.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.3 p . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.611 173.909 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.446 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 32.2 Cg_exo . . . . . 0 N--CA 1.478 0.592 0 N-CA-C 114.62 0.969 . . . . 0.0 114.62 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 31.5 Cg_endo -65.28 135.17 41.98 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 121.454 1.436 . . . . 0.0 112.663 177.477 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.634 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 7.5 p -130.35 140.02 49.88 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.891 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.995 178.527 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.547 ' OE1' ' HB ' ' A' ' 65' ' ' THR . 5.9 tp-100 -93.49 109.05 20.65 Favored 'General case' 0 C--O 1.247 0.923 0 O-C-N 123.243 0.34 . . . . 0.0 110.58 -178.676 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.2 t -124.88 134.71 66.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.838 -177.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -88.71 103.93 16.41 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.469 175.339 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.476 ' CD1' ' HB3' ' A' ' 66' ' ' TYR . 98.9 m95 -83.32 117.55 23.07 Favored 'General case' 0 C--N 1.311 -1.08 0 O-C-N 123.668 0.605 . . . . 0.0 111.016 -175.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.412 ' HG3' ' HA2' ' A' ' 43' ' ' GLY . 43.8 mt-10 -69.29 -34.7 75.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.065 -172.654 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 m -64.56 -40.1 94.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.696 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.3 p -87.76 -36.52 17.27 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.228 0.537 . . . . 0.0 110.547 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.16 26.07 29.59 Favored Glycine 0 N--CA 1.46 0.269 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.086 178.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -147.2 165.13 30.96 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 121.257 -0.177 . . . . 0.0 110.846 -178.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.547 ' HB ' ' OE1' ' A' ' 56' ' ' GLN . 16.5 p -86.23 141.97 28.92 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 123.244 0.34 . . . . 0.0 111.576 179.252 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.476 ' HB3' ' CD1' ' A' ' 59' ' ' TRP . 72.3 t80 -146.26 143.73 29.38 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.921 -176.387 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.634 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 9.9 m-90 -93.63 116.17 28.66 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.927 0.767 . . . . 0.0 109.409 176.465 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.44 HG21 ' HZ2' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -114.93 -178.51 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -175.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.602 ' O ' ' HG2' ' A' ' 72' ' ' MET . 30.0 m-70 -109.2 136.12 49.2 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.068 174.384 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.536 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . 89.3 m95 -52.05 -43.0 63.57 Favored 'General case' 0 C--O 1.223 -0.316 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -174.079 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.83 -4.98 31.05 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -169.647 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.602 ' HG2' ' O ' ' A' ' 69' ' ' HIS . 20.9 ptp -111.31 9.44 21.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.907 0.86 . . . . 0.0 109.714 176.749 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.458 HD11 ' CG2' ' A' ' 28' ' ' VAL . 51.5 tp -118.37 135.46 54.31 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.138 -175.545 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -111.74 142.96 43.42 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-O 121.762 0.791 . . . . 0.0 110.704 179.159 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.0 tt -98.3 124.7 51.55 Favored 'Isoleucine or valine' 0 C--O 1.245 0.852 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.653 -174.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.6 mp . . . . . 0 CA--C 1.508 -0.653 0 C-N-CA 122.806 0.442 . . . . 0.0 110.777 177.814 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 64.1 t80 . . . . . 0 CA--C 1.51 -0.589 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.546 ' HB1' ' HB2' ' A' ' 70' ' ' TRP . . . -61.07 -30.59 70.42 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.925 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.2 tp -73.51 -41.48 63.02 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.452 0.644 . . . . 0.0 110.575 -178.17 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -66.74 -51.47 55.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.769 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.2 m -58.95 -41.74 83.99 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -178.186 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.47 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 7.0 ptm180 -71.88 -20.59 61.78 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-O 120.744 0.307 . . . . 0.0 111.611 -179.118 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -75.58 -35.89 60.48 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.819 178.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 m -82.51 -34.41 27.94 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 120.676 0.274 . . . . 0.0 110.279 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.68 ' HA ' ' SD ' ' A' ' 26' ' ' MET . 38.7 tp -71.79 96.67 1.67 Allowed 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.114 -177.078 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.415 ' O ' ' HB2' ' A' ' 26' ' ' MET . 67.1 mt-30 -86.48 162.36 45.64 Favored Pre-proline 0 N--CA 1.448 -0.565 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.788 178.409 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.423 ' HA ' ' CD2' ' A' ' 45' ' ' PHE . 35.8 Cg_exo -57.84 124.52 16.19 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.909 2.406 . . . . 0.0 111.647 176.652 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.08 -5.46 61.34 Favored Glycine 0 CA--C 1.508 -0.351 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.628 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.68 ' SD ' ' HA ' ' A' ' 22' ' ' LEU . 8.6 ttt -74.91 134.45 41.59 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.416 0.627 . . . . 0.0 109.949 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.598 ' HG3' ' O ' ' A' ' 43' ' ' GLY . 35.1 ttm180 -76.16 141.73 41.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.894 178.691 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.485 HG21 HG11 ' A' ' 57' ' ' VAL . 34.7 m -119.84 161.78 18.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.087 -173.534 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -121.42 122.58 40.11 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.127 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.533 ' HG2' HG22 ' A' ' 37' ' ' ILE . 10.6 tpt -74.51 108.73 7.46 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-O 122.084 0.945 . . . . 0.0 109.206 176.742 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 31' ' ' LEU . 0.6 OUTLIER -89.01 -28.22 20.33 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.458 -1.246 . . . . 0.0 111.434 -171.291 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.542 ' HB3' ' HB2' ' A' ' 72' ' ' MET . 18.8 t70 -135.7 138.73 43.06 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -178.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -75.88 145.79 40.25 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.258 0.552 . . . . 0.0 110.438 -173.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.685 ' HB2' ' HE1' ' A' ' 72' ' ' MET . 17.8 t80 -155.69 108.96 2.74 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.876 -176.504 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 54.29 -110.64 0.57 Allowed 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 114.855 -1.066 . . . . 0.0 112.648 176.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -72.47 -28.4 62.89 Favored 'General case' 0 CA--C 1.505 -0.765 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -178.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.533 HG22 ' HG2' ' A' ' 30' ' ' MET . 20.9 mm -98.69 147.59 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 CA-C-O 121.192 0.52 . . . . 0.0 109.697 -174.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 71.2 m -126.05 166.03 17.74 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -177.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.36 137.77 54.86 Favored 'General case' 0 N--CA 1.438 -1.042 0 O-C-N 122.157 -0.339 . . . . 0.0 110.745 -176.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.5 -14.89 57.78 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 121.237 -0.506 . . . . 0.0 112.754 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.461 ' CG ' ' HB3' ' A' ' 61' ' ' SER . 3.7 t70 -68.53 142.1 55.34 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 177.763 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -118.18 147.83 42.97 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 -178.356 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.598 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -159.11 -171.76 25.33 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.301 -0.952 . . . . 0.0 111.98 -176.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -125.19 144.14 50.59 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -178.009 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.423 ' CD2' ' HA ' ' A' ' 24' ' ' PRO . 49.5 t80 -86.59 118.13 25.81 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.442 -175.345 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.464 HH11 ' HD3' ' A' ' 46' ' ' ARG . 23.9 mmt-85 -85.25 -55.75 3.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.842 -0.163 . . . . 0.0 111.388 -178.266 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -177.72 170.8 1.93 Allowed 'General case' 0 CA--C 1.541 0.605 0 O-C-N 123.503 0.502 . . . . 0.0 110.731 -173.628 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.4 p . . . . . 0 C--N 1.309 -1.155 0 O-C-N 123.945 0.778 . . . . 0.0 109.325 179.746 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.506 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 26.1 Cg_exo . . . . . 0 CA--C 1.526 0.125 0 N-CA-C 114.587 0.957 . . . . 0.0 114.587 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 29.5 Cg_endo -62.56 130.94 31.59 Favored 'Trans proline' 0 C--N 1.368 1.601 0 C-N-CA 121.445 1.43 . . . . 0.0 113.048 178.339 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.728 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 4.6 p -130.38 139.89 50.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.195 -178.65 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -95.4 108.55 20.76 Favored 'General case' 0 N--CA 1.434 -1.247 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.524 -177.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.485 HG11 HG21 ' A' ' 28' ' ' VAL . 70.5 t -124.29 138.46 53.77 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 -175.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -97.96 123.28 41.89 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 176.059 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -95.14 112.87 24.52 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 -176.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.444 ' HG3' ' HA2' ' A' ' 43' ' ' GLY . 41.3 mt-10 -76.13 -17.59 59.52 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 124.1 0.875 . . . . 0.0 111.256 -169.523 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.461 ' HB3' ' CG ' ' A' ' 41' ' ' ASP . 25.9 t -79.89 -26.38 40.27 Favored 'General case' 0 N--CA 1.447 -0.621 0 O-C-N 123.556 0.535 . . . . 0.0 109.845 -178.526 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.1 p -105.27 -49.41 3.46 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-O 121.096 0.474 . . . . 0.0 111.353 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.58 16.21 14.99 Favored Glycine 0 CA--C 1.508 -0.389 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -173.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -114.16 139.86 49.0 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.488 -0.19 . . . . 0.0 110.488 -178.004 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.25 139.52 30.41 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 166.175 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -151.91 148.48 27.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.687 -175.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.728 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -93.12 116.21 28.82 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 121.418 0.627 . . . . 0.0 109.816 179.219 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.488 HG12 ' H ' ' A' ' 69' ' ' HIS . 3.5 t -109.21 176.29 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 -176.79 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.529 ' O ' ' HG2' ' A' ' 72' ' ' MET . 21.7 m-70 -107.82 136.79 46.96 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 121.197 -0.201 . . . . 0.0 110.912 172.228 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.573 ' HZ3' HD23 ' A' ' 22' ' ' LEU . 85.3 m95 -54.4 -35.55 62.99 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -172.506 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -79.24 2.76 20.06 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -171.48 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.685 ' HE1' ' HB2' ' A' ' 34' ' ' TYR . 22.3 ptm -122.0 14.44 10.68 Favored 'General case' 0 C--O 1.241 0.657 0 C-N-CA 120.303 -0.559 . . . . 0.0 111.247 177.128 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 70' ' ' TRP . 4.0 pp -118.7 149.33 41.61 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.532 0.682 . . . . 0.0 111.653 177.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.49 140.24 38.89 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.414 175.685 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.413 HD11 ' CE ' ' A' ' 26' ' ' MET . 0.0 OUTLIER -94.75 119.4 42.72 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 C-N-CA 122.676 0.39 . . . . 0.0 110.826 -177.578 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.6 mt . . . . . 0 CA--C 1.511 -0.52 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 178.825 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 . . . . . 0 N--CA 1.446 -0.646 0 CA-C-O 121.897 0.856 . . . . 0.0 109.667 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.554 ' O ' ' HG3' ' A' ' 19' ' ' ARG . . . -61.56 -32.32 72.4 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 113.754 -1.566 . . . . 0.0 111.833 -178.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 19' ' ' ARG . 45.9 tp -73.86 -48.68 29.4 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.232 178.177 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -60.45 -53.89 52.12 Favored 'General case' 0 CA--C 1.514 -0.418 0 O-C-N 123.352 0.408 . . . . 0.0 110.975 -177.058 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.419 ' HB ' HD23 ' A' ' 22' ' ' LEU . 35.7 m -54.53 -29.48 20.46 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.668 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -177.237 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.554 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 56.4 mtp180 -55.23 -37.76 67.61 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 177.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.1 -24.98 62.41 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -175.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.3 m -103.79 -17.72 14.95 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 122.35 -0.219 . . . . 0.0 110.974 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.495 HD22 HD12 ' A' ' 75' ' ' ILE . 0.9 OUTLIER -77.49 66.08 3.15 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.57 ' HG2' ' HE2' ' A' ' 26' ' ' MET . 2.4 pt20 -75.22 161.82 75.53 Favored Pre-proline 0 N--CA 1.444 -0.738 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.641 176.1 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -56.5 103.77 0.13 Allowed 'Trans proline' 0 C--O 1.24 0.616 0 C-N-CA 122.156 1.904 . . . . 0.0 111.321 171.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 130.44 -3.5 5.83 Favored Glycine 0 C--N 1.315 -0.637 0 N-CA-C 111.707 -0.557 . . . . 0.0 111.707 -177.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.57 ' HE2' ' HG2' ' A' ' 23' ' ' GLN . 23.9 mmt -90.26 110.22 21.28 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.145 0.497 . . . . 0.0 111.266 179.105 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.434 ' HD2' ' OE1' ' A' ' 60' ' ' GLU . 26.2 mtm180 -71.51 148.17 47.02 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.751 0.786 . . . . 0.0 110.757 174.189 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.56 ' HB ' ' HB2' ' A' ' 73' ' ' LEU . 35.8 m -124.68 157.15 32.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.494 -176.214 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -127.92 130.29 48.23 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.13 0.491 . . . . 0.0 110.613 176.222 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.486 ' SD ' ' HB3' ' A' ' 72' ' ' MET . 13.6 tpt -72.19 120.13 17.36 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.102 -176.658 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.642 HD21 ' HB2' ' A' ' 74' ' ' GLU . 95.7 mt -84.13 -33.33 24.32 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.54 -176.511 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.437 ' O ' ' HG3' ' A' ' 30' ' ' MET . 37.1 t70 -123.64 157.99 32.55 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.393 -176.277 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.555 ' HA ' ' HA ' ' A' ' 38' ' ' SER . 5.8 p-10 -82.83 134.73 35.09 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -157.96 108.07 2.14 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.068 -176.022 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 63.0 -118.86 0.55 Allowed 'General case' 0 C--N 1.322 -0.598 0 O-C-N 124.32 1.012 . . . . 0.0 110.963 175.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -73.61 -25.96 60.56 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.415 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 23.5 mm -99.91 150.81 5.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 O-C-N 123.543 0.527 . . . . 0.0 111.04 -173.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.555 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 60.0 p -132.55 172.36 12.61 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -176.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.23 128.47 35.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.016 0.436 . . . . 0.0 110.72 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.66 -20.65 33.9 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.254 -0.974 . . . . 0.0 113.462 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -61.56 136.75 58.13 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.969 0.384 . . . . 0.0 110.629 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -109.85 147.01 34.1 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 120.961 0.41 . . . . 0.0 110.023 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.465 ' HA2' ' HG3' ' A' ' 60' ' ' GLU . . . -153.71 171.28 32.47 Favored Glycine 0 C--O 1.218 -0.897 0 C-N-CA 119.895 -1.145 . . . . 0.0 112.727 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -106.12 139.21 40.99 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 178.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -84.76 117.34 23.77 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -179.196 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.552 ' HD2' ' HB2' ' A' ' 58' ' ' PHE . 47.3 mtp85 -91.24 -51.19 5.43 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 119.929 -0.708 . . . . 0.0 110.648 179.12 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 175.46 171.38 0.32 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.673 0.789 . . . . 0.0 109.459 178.197 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.469 ' HA ' ' HA ' ' A' ' 55' ' ' VAL . 9.1 p . . . . . 0 C--N 1.328 -0.327 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -179.087 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.552 ' HA ' ' HD1' ' A' ' 70' ' ' TRP . 2.9 Cg_exo . . . . . 0 CA--C 1.549 1.237 0 N-CA-C 116.141 1.554 . . . . 0.0 116.141 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -60.32 116.94 3.67 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 121.394 1.396 . . . . 0.0 112.584 174.426 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.503 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 13.7 p -129.54 139.88 50.55 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.414 -177.046 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -100.62 115.98 31.47 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -177.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.6 t -124.01 131.11 73.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 O-C-N 124.243 0.964 . . . . 0.0 110.913 -173.309 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.552 ' HB2' ' HD2' ' A' ' 46' ' ' ARG . 79.4 t80 -88.05 117.96 27.28 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 176.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.437 ' HZ2' HG21 ' A' ' 68' ' ' VAL . 98.9 m95 -94.44 118.95 32.43 Favored 'General case' 0 C--N 1.31 -1.142 0 C-N-CA 120.326 -0.55 . . . . 0.0 111.456 -175.168 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.465 ' HG3' ' HA2' ' A' ' 43' ' ' GLY . 32.1 mt-10 -68.76 -47.37 66.39 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 124.552 1.157 . . . . 0.0 111.089 -173.042 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.7 p -61.66 -33.18 73.5 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.611 -176.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.9 m -85.4 -61.11 1.84 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.275 0.56 . . . . 0.0 110.138 176.075 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.04 11.65 12.12 Favored Glycine 0 C--N 1.31 -0.863 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.731 -177.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -132.33 155.49 48.29 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.45 ' HA ' ' HA ' ' A' ' 58' ' ' PHE . 19.4 m -92.97 148.34 22.08 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.831 177.61 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -150.24 147.72 28.02 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 122.03 -0.419 . . . . 0.0 110.881 -173.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.503 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 5.0 m-90 -90.14 117.6 29.03 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 175.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.448 HG12 ' H ' ' A' ' 69' ' ' HIS . 0.7 OUTLIER -119.02 -175.21 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.919 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.508 ' HB2' ' SD ' ' A' ' 72' ' ' MET . 28.1 m-70 -105.28 139.81 39.37 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 170.463 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.552 ' HD1' ' HA ' ' A' ' 53' ' ' PRO . 86.5 m95 -47.13 -39.62 13.85 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 -176.526 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 -75.41 0.17 17.9 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.445 -0.502 . . . . 0.0 112.226 -174.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.508 ' SD ' ' HB2' ' A' ' 69' ' ' HIS . 0.8 OUTLIER -83.75 -28.7 28.02 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-O 121.21 0.529 . . . . 0.0 111.064 174.43 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.56 ' HB2' ' HB ' ' A' ' 28' ' ' VAL . 3.6 pp -105.42 146.84 28.94 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 121.209 0.528 . . . . 0.0 112.071 -171.207 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.642 ' HB2' HD21 ' A' ' 31' ' ' LEU . 43.2 tt0 -104.64 143.09 33.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 113.963 -1.471 . . . . 0.0 108.766 174.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.495 HD12 HD22 ' A' ' 22' ' ' LEU . 5.7 tt -91.48 109.18 20.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.092 0.472 . . . . 0.0 111.361 -176.2 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 N--CA 1.445 -0.696 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 172.431 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 75.1 t80 . . . . . 0 C--O 1.244 0.785 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.416 ' HA ' HG22 ' A' ' 18' ' ' VAL . . . -65.42 -22.34 66.76 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 122.7 0.4 . . . . 0.0 111.423 176.523 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.7 tp -72.23 -43.56 64.23 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -61.04 -48.22 82.77 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.876 -178.213 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.554 ' O ' ' HB3' ' A' ' 22' ' ' LEU . 28.4 m -61.07 -38.73 80.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.285 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -42.45 95.73 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 122.085 0.945 . . . . 0.0 109.626 175.63 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -64.59 -54.95 23.97 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.875 -176.375 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.8 m -90.92 -39.3 12.35 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -171.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.554 ' HB3' ' O ' ' A' ' 18' ' ' VAL . 54.3 tp -79.17 99.3 6.93 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.749 0.785 . . . . 0.0 109.852 -176.742 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.415 ' H ' ' HE2' ' A' ' 26' ' ' MET . 80.1 mt-30 -88.21 164.22 34.01 Favored Pre-proline 0 C--N 1.313 -1.012 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.746 -177.402 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.688 ' HA ' ' CD1' ' A' ' 45' ' ' PHE . 7.9 Cg_exo -71.05 99.62 0.9 Allowed 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.574 2.183 . . . . 0.0 112.299 178.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 147.69 -32.16 1.34 Allowed Glycine 0 C--O 1.222 -0.595 0 CA-C-N 115.65 -0.705 . . . . 0.0 112.127 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.415 ' HE2' ' H ' ' A' ' 23' ' ' GLN . 69.1 mtm -76.51 160.83 29.13 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.38 0.61 . . . . 0.0 112.567 -177.179 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.608 ' HG2' HD21 ' A' ' 76' ' ' LEU . 21.9 ttm105 -80.46 146.77 31.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.967 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.411 HG21 HG11 ' A' ' 57' ' ' VAL . 23.8 m -124.79 151.02 29.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-O 121.757 0.789 . . . . 0.0 109.277 -178.131 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.516 ' CZ ' ' HA2' ' A' ' 40' ' ' GLY . 2.7 tmt_? -117.14 126.98 53.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.045 177.799 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.567 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . 12.6 tpt -80.23 109.78 15.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.056 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.567 ' CD2' ' HB2' ' A' ' 74' ' ' GLU . 0.3 OUTLIER -96.38 4.81 51.97 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -175.951 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.483 ' HB3' ' SD ' ' A' ' 72' ' ' MET . 2.1 t0 -145.45 170.0 17.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 121.913 -0.492 . . . . 0.0 111.445 -176.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -102.02 126.57 48.98 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -156.0 99.24 1.95 Allowed 'General case' 0 C--O 1.22 -0.452 0 C-N-CA 120.037 -0.665 . . . . 0.0 111.552 -176.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 55.57 -105.57 0.28 Allowed 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 114.835 -1.075 . . . . 0.0 112.258 172.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -64.35 -36.05 82.88 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.897 -177.061 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.515 HG22 ' HG2' ' A' ' 30' ' ' MET . 25.6 mm -109.96 153.97 11.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-O 121.217 0.532 . . . . 0.0 109.978 -171.798 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.8 t -125.3 164.6 20.01 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.092 -177.115 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.52 130.3 43.18 Favored 'General case' 0 C--O 1.249 1.047 0 CA-C-O 120.879 0.371 . . . . 0.0 110.256 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.516 ' HA2' ' CZ ' ' A' ' 29' ' ' ARG . . . 107.09 -14.43 40.41 Favored Glycine 0 N--CA 1.431 -1.693 0 C-N-CA 121.214 -0.517 . . . . 0.0 112.566 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -71.29 151.7 43.97 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.993 -0.71 . . . . 0.0 110.309 176.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -129.7 155.79 45.33 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.285 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.557 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -160.82 -174.88 31.21 Favored Glycine 0 N--CA 1.434 -1.477 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.591 -178.73 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -123.6 141.4 52.05 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 124.294 0.644 . . . . 0.0 109.609 -177.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.688 ' CD1' ' HA ' ' A' ' 24' ' ' PRO . 7.0 t80 -82.28 115.18 21.23 Favored 'General case' 0 C--O 1.244 0.793 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -174.138 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -84.27 -53.54 5.41 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 121.679 -0.638 . . . . 0.0 110.328 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -173.2 164.93 4.84 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.284 -176.083 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.526 ' HB3' ' HZ ' ' A' ' 45' ' ' PHE . 21.4 p . . . . . 0 N--CA 1.445 -0.716 0 CA-C-O 120.761 0.315 . . . . 0.0 110.291 -178.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.561 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 52.3 Cg_exo . . . . . 0 CA--C 1.549 1.245 0 N-CA-C 115.11 1.158 . . . . 0.0 115.11 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 0.9 OUTLIER -42.42 123.79 2.91 Favored 'Trans proline' 0 C--N 1.366 1.471 0 C-N-CA 122.949 2.433 . . . . 0.0 113.858 -175.076 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.635 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 5.6 p -129.29 137.25 57.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.582 179.681 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -96.66 107.49 19.94 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.815 0.341 . . . . 0.0 110.594 -174.02 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.411 HG11 HG21 ' A' ' 28' ' ' VAL . 72.8 t -122.26 136.58 58.66 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.172 0 CA-C-N 116.74 -0.209 . . . . 0.0 110.498 -178.674 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -93.83 116.82 29.32 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 176.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.567 ' CZ3' ' HB2' ' A' ' 30' ' ' MET . 98.2 m95 -90.21 110.36 21.4 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 121.729 0.776 . . . . 0.0 110.631 -177.012 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.545 ' HG3' ' HA2' ' A' ' 43' ' ' GLY . 41.1 mt-10 -73.31 -34.17 65.56 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.057 -170.649 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 45.5 t -62.75 -33.62 75.53 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.639 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.5 m -96.88 -48.84 5.28 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.27 -178.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.77 19.52 9.62 Favored Glycine 0 N--CA 1.451 -0.315 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 178.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -132.17 148.56 52.47 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 122.419 -0.459 . . . . 0.0 110.447 -177.349 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.94 142.62 32.28 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.606 171.298 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -148.74 146.29 28.02 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.635 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 24.1 m-90 -92.62 114.53 27.11 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 176.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.566 HG12 ' H ' ' A' ' 69' ' ' HIS . 1.0 OUTLIER -101.64 -156.39 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.306 -1.306 0 C-N-CA 123.723 0.809 . . . . 0.0 109.795 -172.26 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.566 ' H ' HG12 ' A' ' 68' ' ' VAL . 73.5 m-70 -137.88 135.52 36.22 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 -170.75 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -48.74 -50.25 34.62 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 26.5 p80 -68.29 -11.11 58.9 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.69 -0.631 . . . . 0.0 111.658 -177.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.483 ' SD ' ' HB3' ' A' ' 32' ' ' ASP . 47.9 tpp -95.51 -10.94 28.35 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -176.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.1 mt -103.94 132.83 49.81 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 120.891 -0.324 . . . . 0.0 111.551 -173.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.567 ' HB2' ' CD2' ' A' ' 31' ' ' LEU . 37.6 tt0 -109.04 145.63 35.28 Favored 'General case' 0 C--O 1.225 -0.211 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 171.317 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.8 tt -107.14 121.65 60.26 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.127 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.712 -179.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.608 HD21 ' HG2' ' A' ' 27' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.223 0 C-N-CA 119.991 -0.683 . . . . 0.0 110.614 178.238 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.3 t80 . . . . . 0 C--O 1.213 -0.826 0 CA-C-O 121.135 0.493 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.77 -31.24 72.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.826 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 68.3 tp -73.72 -45.33 52.78 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 121.259 0.552 . . . . 0.0 110.215 177.035 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -56.15 -53.94 51.14 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.885 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.41 HG12 HD13 ' A' ' 75' ' ' ILE . 22.3 m -63.79 -43.31 97.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -178.26 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -69.53 -22.65 63.56 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 118.151 0.432 . . . . 0.0 111.046 -176.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -66.39 -44.96 81.64 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.777 178.036 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.2 t -94.03 -28.47 15.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.676 -175.083 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.644 HD22 HG22 ' A' ' 75' ' ' ILE . 16.9 tp -77.54 97.64 5.1 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.477 0.656 . . . . 0.0 111.037 -174.408 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -93.09 154.75 41.63 Favored Pre-proline 0 N--CA 1.446 -0.636 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.521 178.092 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -49.18 120.77 5.96 Favored 'Trans proline' 0 C--O 1.246 0.878 0 C-N-CA 122.948 2.432 . . . . 0.0 111.81 173.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.65 -12.01 20.96 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.643 -0.789 . . . . 0.0 111.798 -176.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.408 ' SD ' ' HA ' ' A' ' 22' ' ' LEU . 49.2 mtt -89.1 123.27 33.22 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.322 0.582 . . . . 0.0 111.312 172.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 37.9 mtm180 -77.43 149.02 35.15 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.986 0.898 . . . . 0.0 111.804 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.9 m -122.08 161.75 22.46 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.519 0 CA-C-N 114.452 -1.249 . . . . 0.0 111.991 -177.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.453 ' HB2' HD21 ' A' ' 76' ' ' LEU . 45.0 ttm-85 -123.09 136.68 54.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.179 176.134 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.545 ' HG2' HG22 ' A' ' 37' ' ' ILE . 15.0 tpt -89.07 125.75 35.15 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.913 -0.492 . . . . 0.0 110.42 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 31' ' ' LEU . 4.1 mm? -112.7 -3.58 14.23 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.371 -175.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -124.0 163.55 21.17 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 118.209 0.459 . . . . 0.0 110.52 -176.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -88.59 118.87 28.55 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 176.258 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.45 ' HB2' ' CE ' ' A' ' 30' ' ' MET . 5.9 t80 -127.49 178.97 5.74 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.441 -174.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 1.4 mp0 -70.03 91.72 0.7 Allowed 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.795 -176.414 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.472 ' HB2' ' O ' ' A' ' 35' ' ' GLU . 42.7 mt-10 95.84 -26.61 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.574 0 O-C-N 124.91 1.381 . . . . 0.0 110.153 175.102 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.545 HG22 ' HG2' ' A' ' 30' ' ' MET . 42.5 mm -97.78 144.95 10.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 177.576 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.7 m -132.35 174.87 9.8 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 -175.223 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.3 131.86 46.58 Favored 'General case' 0 N--CA 1.436 -1.131 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.106 -178.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.5 -18.76 37.77 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.762 178.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -63.16 136.89 58.02 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 117.518 0.659 . . . . 0.0 110.939 177.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 42.0 mt-10 -104.63 142.32 34.88 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.942 176.241 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -143.14 162.2 27.55 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 119.578 -1.296 . . . . 0.0 112.371 -178.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -103.03 135.76 44.12 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -88.78 114.12 25.06 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 -177.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -83.54 -56.43 3.74 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.453 -177.06 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -178.35 172.54 1.49 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.843 -172.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.5 m . . . . . 0 C--O 1.248 1.003 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.318 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.495 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 2.1 Cg_endo . . . . . 0 CA--C 1.546 1.108 0 N-CA-C 117.936 2.245 . . . . 0.0 117.936 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 3.9 Cg_endo -44.8 142.32 5.16 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 121.58 1.52 . . . . 0.0 114.352 178.363 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.685 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 12.6 p -133.14 141.31 45.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-N 114.174 -1.375 . . . . 0.0 108.697 -174.768 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.416 ' HA ' ' OE1' ' A' ' 56' ' ' GLN . 6.1 tp60 -92.32 108.13 19.73 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.422 -176.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 98.9 t -124.87 136.53 60.51 Favored 'Isoleucine or valine' 0 C--O 1.241 0.635 0 CA-C-O 121.395 0.616 . . . . 0.0 110.4 -175.114 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.427 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 82.3 t80 -93.2 118.76 31.61 Favored 'General case' 0 N--CA 1.44 -0.933 0 O-C-N 121.865 -0.522 . . . . 0.0 110.645 175.719 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.522 ' HZ2' HG21 ' A' ' 68' ' ' VAL . 95.6 m95 -95.74 114.36 26.09 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.118 0.485 . . . . 0.0 109.807 -178.075 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 8.5 pt-20 -72.82 -29.82 63.55 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.976 -170.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.2 p -61.95 -35.42 78.4 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 124.055 0.847 . . . . 0.0 111.703 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.7 p -104.25 -25.66 12.8 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.66 178.228 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.24 16.91 65.83 Favored Glycine 0 CA--C 1.521 0.424 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.855 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -117.46 143.0 46.47 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-O 120.956 0.407 . . . . 0.0 110.807 -176.366 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 58' ' ' PHE . 16.3 p -83.85 143.25 30.04 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.005 169.412 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.412 ' HE2' ' CE2' ' A' ' 34' ' ' TYR . 27.3 t80 -153.95 147.69 25.32 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.433 0.159 . . . . 0.0 111.116 -177.63 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.685 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 24.5 m-90 -91.17 115.03 27.7 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 179.48 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.536 HG12 ' H ' ' A' ' 69' ' ' HIS . 2.0 t -116.87 -179.61 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -177.585 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.599 ' O ' ' HG2' ' A' ' 72' ' ' MET . 14.8 m-70 -109.18 138.35 45.66 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.634 175.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 64.9 m95 -51.33 -38.9 55.5 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -177.081 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -69.67 -4.88 21.45 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -168.234 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.599 ' HG2' ' O ' ' A' ' 69' ' ' HIS . 5.1 ptm -120.42 11.91 11.53 Favored 'General case' 0 C--O 1.24 0.577 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.953 -177.189 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.8 mp -117.0 145.5 43.63 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.125 0.488 . . . . 0.0 110.231 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -102.43 139.61 37.8 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 172.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.644 HG22 HD22 ' A' ' 22' ' ' LEU . 21.8 pt -99.08 130.44 48.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -176.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.453 HD21 ' HB2' ' A' ' 29' ' ' ARG . 3.7 mm? . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.378 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 68.7 t80 . . . . . 0 C--O 1.226 -0.159 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' ' 19' ' ' ARG . . . -67.77 -25.33 65.55 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 114.801 -1.09 . . . . 0.0 111.134 178.405 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 36.1 tp -75.76 -49.66 17.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.162 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -56.97 -55.3 36.42 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.365 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.674 ' HB ' HD11 ' A' ' 75' ' ' ILE . 34.2 m -59.48 -35.89 61.42 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.508 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.794 -179.22 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 36.2 ttm180 -52.87 -40.68 63.63 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -179.094 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -63.36 -42.72 98.91 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 121.37 0.605 . . . . 0.0 111.009 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.1 m -79.42 -25.22 42.08 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.58 0.705 . . . . 0.0 110.69 -177.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.655 HD12 ' HB2' ' A' ' 26' ' ' MET . 30.1 tp -80.15 88.86 5.42 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-O 121.488 0.661 . . . . 0.0 110.984 -174.234 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.408 ' H ' ' HG3' ' A' ' 26' ' ' MET . 0.0 OUTLIER -94.51 158.58 35.33 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.72 173.256 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -53.23 115.58 2.38 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.054 1.836 . . . . 0.0 111.695 173.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.62 -17.67 10.18 Favored Glycine 0 N--CA 1.449 -0.446 0 O-C-N 123.681 0.613 . . . . 0.0 111.72 -176.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.655 ' HB2' HD12 ' A' ' 22' ' ' LEU . 17.3 mmt -71.11 133.7 46.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.157 0.503 . . . . 0.0 111.253 176.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.421 ' HA ' ' HA ' ' A' ' 44' ' ' GLU . 2.5 mpt_? -83.55 148.05 27.42 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.107 174.548 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.8 m -125.59 156.09 35.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -177.686 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -115.8 122.85 46.68 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 124.281 0.988 . . . . 0.0 109.45 177.12 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.504 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 9.9 tpt -74.57 119.23 18.48 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.641 HD11 ' HB2' ' A' ' 74' ' ' GLU . 96.2 mt -94.05 -18.62 21.64 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -174.26 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.445 ' O ' ' HE3' ' A' ' 30' ' ' MET . 15.8 t70 -133.38 154.52 50.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.59 -0.694 . . . . 0.0 110.25 -175.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -85.11 127.83 34.4 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.58 ' HB2' ' HE1' ' A' ' 72' ' ' MET . 87.0 t80 -149.32 100.34 3.01 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.35 0.595 . . . . 0.0 110.22 -173.537 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 47.91 -107.11 0.18 Allowed 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 114.316 -1.311 . . . . 0.0 112.473 -178.514 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -66.19 -33.7 76.35 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.816 -175.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.491 HG22 ' HG2' ' A' ' 30' ' ' MET . 18.0 mm -100.56 150.7 5.48 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 O-C-N 122.177 -0.327 . . . . 0.0 110.665 -172.078 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.7 m -122.95 166.71 14.62 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.653 -178.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.82 127.81 34.17 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.191 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.54 -19.13 39.96 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.879 -0.677 . . . . 0.0 113.134 -179.079 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -63.82 141.69 58.68 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 122.489 -0.418 . . . . 0.0 111.009 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -104.32 147.05 27.95 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.434 0.635 . . . . 0.0 111.094 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -151.52 -178.68 26.52 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.846 177.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.421 ' HA ' ' HA ' ' A' ' 27' ' ' ARG . 42.9 tt0 -130.78 147.4 52.44 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.902 0.382 . . . . 0.0 110.158 177.534 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.41 ' HE1' HG23 ' A' ' 55' ' ' VAL . 74.9 t80 -91.54 124.13 35.48 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -177.231 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.742 ' HD2' ' HB2' ' A' ' 58' ' ' PHE . 52.8 mtp85 -103.18 -44.17 5.27 Favored 'General case' 0 C--N 1.318 -0.794 0 O-C-N 123.486 0.491 . . . . 0.0 111.587 -177.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -178.32 169.08 1.86 Allowed 'General case' 0 C--O 1.234 0.285 0 O-C-N 124.056 0.847 . . . . 0.0 110.732 179.104 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.538 ' HB3' HG23 ' A' ' 55' ' ' VAL . 58.0 p . . . . . 0 N--CA 1.466 0.339 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.865 -174.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo . . . . . 0 CA--C 1.558 1.717 0 N-CA-C 116.738 1.784 . . . . 0.0 116.738 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -62.3 113.99 2.15 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 121.214 1.276 . . . . 0.0 113.469 -172.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.565 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 7.9 p -125.72 134.85 65.66 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.81 176.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -98.15 113.18 25.0 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.317 0.579 . . . . 0.0 110.354 -175.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.0 t -119.36 131.86 70.82 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.549 -177.363 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.742 ' HB2' ' HD2' ' A' ' 46' ' ' ARG . 69.3 t80 -84.28 103.71 13.7 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.477 175.343 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.504 ' CH2' ' HB2' ' A' ' 30' ' ' MET . 99.1 m95 -85.99 116.61 24.32 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 -177.74 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.96 -12.22 59.73 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.283 0.564 . . . . 0.0 110.03 -174.763 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 31.4 t -67.43 -43.77 80.39 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.147 174.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.4 p -96.51 -21.34 17.76 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.502 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.01 28.86 48.63 Favored Glycine 0 CA--C 1.502 -0.722 0 C-N-CA 120.47 -0.871 . . . . 0.0 113.115 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -152.08 165.63 34.12 Favored 'General case' 0 C--O 1.242 0.665 0 O-C-N 122.471 -0.429 . . . . 0.0 111.423 -175.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.412 HG23 ' HD1' ' A' ' 58' ' ' PHE . 1.3 p -86.78 150.17 24.34 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.909 178.069 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.402 ' HB3' ' CD1' ' A' ' 59' ' ' TRP . 74.8 t80 -152.45 145.72 24.72 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.673 -179.027 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.565 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 27.0 m-90 -96.43 115.9 28.19 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-O 121.137 0.494 . . . . 0.0 109.831 178.342 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.441 ' O ' HG12 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -113.96 -178.32 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 -177.311 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.601 ' O ' ' HG2' ' A' ' 72' ' ' MET . 39.8 m-70 -98.55 133.41 42.95 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 173.065 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 83.9 m95 -44.41 -50.44 9.27 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -70.29 -0.09 7.39 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -167.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.601 ' HG2' ' O ' ' A' ' 69' ' ' HIS . 14.9 ptm -113.48 10.71 18.26 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.927 0.785 . . . . 0.0 113.074 -174.379 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.474 ' N ' HD13 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -130.26 159.58 36.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.348 0.594 . . . . 0.0 112.065 173.303 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.641 ' HB2' HD11 ' A' ' 31' ' ' LEU . 45.1 tt0 -112.12 157.13 21.18 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.079 -179.037 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.674 HD11 ' HB ' ' A' ' 18' ' ' VAL . 29.2 mm -85.61 123.4 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.441 -179.344 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.2 mt . . . . . 0 N--CA 1.455 -0.217 0 CA-C-O 121.497 0.665 . . . . 0.0 109.886 172.678 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.462 ' O ' ' HB2' ' A' ' 7' ' ' GLU . 9.0 tmm? . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.545 ' C ' ' H ' ' A' ' 7' ' ' GLU . 75.7 mtt180 -58.18 -26.67 63.06 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 122.037 -0.414 . . . . 0.0 111.64 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -68.36 14.56 0.07 Allowed 'General case' 0 CA--C 1.549 0.933 0 CA-C-O 121.407 0.622 . . . . 0.0 110.909 174.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.545 ' H ' ' C ' ' A' ' 5' ' ' ARG . 27.9 tt0 -52.98 -20.68 3.6 Favored 'General case' 0 C--O 1.245 0.836 0 C-N-CA 124.604 1.162 . . . . 0.0 112.342 -177.026 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.425 ' CG ' ' HB ' ' A' ' 13' ' ' THR . 91.9 m-85 -53.14 159.03 1.35 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 122.429 0.292 . . . . 0.0 110.849 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.83 -45.89 59.78 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -171.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.7 m -113.01 -11.21 13.41 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-O 121.8 0.81 . . . . 0.0 110.348 177.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.16 -3.11 82.35 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.315 -179.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -69.67 -28.42 65.85 Favored 'General case' 0 N--CA 1.458 -0.072 0 O-C-N 122.476 -0.426 . . . . 0.0 110.751 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.425 ' HB ' ' CG ' ' A' ' 8' ' ' PHE . 4.1 m -65.33 -31.14 72.11 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.495 0.664 . . . . 0.0 110.838 177.069 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.48 ' O ' HG22 ' A' ' 18' ' ' VAL . 46.3 t80 -65.89 -44.74 84.4 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.438 176.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.444 ' HA ' ' HB3' ' A' ' 70' ' ' TRP . . . -56.21 -35.78 67.71 Favored 'General case' 0 C--O 1.241 0.64 0 O-C-N 124.246 0.966 . . . . 0.0 111.511 174.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.4 tp -72.69 -46.41 53.9 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.609 0.719 . . . . 0.0 110.973 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -57.33 -55.18 38.14 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.332 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 14' ' ' TYR . 29.1 m -61.9 -44.26 98.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.63 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -54.4 -37.4 65.02 Favored 'General case' 0 C--O 1.209 -1.076 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -65.35 -42.29 93.0 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-O 121.023 0.44 . . . . 0.0 110.429 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.0 m -88.81 -29.33 19.82 Favored 'General case' 0 C--O 1.244 0.8 0 O-C-N 121.381 -0.824 . . . . 0.0 111.215 -175.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.59 89.3 2.21 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -102.83 157.4 33.79 Favored Pre-proline 0 C--N 1.312 -1.033 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.794 173.31 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.464 ' HA ' ' O ' ' A' ' 45' ' ' PHE . 76.5 Cg_exo -48.09 113.59 0.86 Allowed 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.167 1.912 . . . . 0.0 112.169 175.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.06 -15.54 8.85 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.911 -176.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.404 ' SD ' ' HA3' ' A' ' 77' ' ' GLY . 22.5 mmt -77.15 125.8 29.91 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 121.309 0.576 . . . . 0.0 109.929 174.037 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.695 ' HB2' ' OE1' ' A' ' 79' ' ' GLU . 11.4 ttm180 -76.79 149.36 36.26 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-O 121.198 0.523 . . . . 0.0 110.007 178.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.1 m -134.83 155.84 38.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 -176.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.727 ' HB2' HD11 ' A' ' 76' ' ' LEU . 50.5 ttt85 -123.77 137.32 54.7 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.388 174.065 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.475 ' HG2' HG22 ' A' ' 37' ' ' ILE . 12.8 tpt -78.01 110.26 12.79 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.409 ' HB2' ' HB2' ' A' ' 74' ' ' GLU . 40.0 tp -89.17 -25.36 21.85 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.153 -1.385 . . . . 0.0 110.593 -171.442 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.442 ' O ' ' HG3' ' A' ' 30' ' ' MET . 19.8 t70 -120.32 154.46 34.99 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.543 ' OD1' ' HA ' ' A' ' 38' ' ' SER . 20.4 t70 -96.06 127.99 42.56 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 120.661 -0.416 . . . . 0.0 109.953 179.426 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -156.61 116.62 3.56 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 120.315 -0.554 . . . . 0.0 112.029 -170.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 60.85 -124.66 0.94 Allowed 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.577 1.151 . . . . 0.0 111.276 174.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -70.65 -24.7 62.76 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.9 0.857 . . . . 0.0 111.504 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.475 HG22 ' HG2' ' A' ' 30' ' ' MET . 27.4 mm -91.62 145.69 7.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -174.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.543 ' HA ' ' OD1' ' A' ' 33' ' ' ASP . 22.2 m -120.26 149.73 41.82 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.061 -176.515 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.05 129.79 43.53 Favored 'General case' 0 N--CA 1.446 -0.673 0 O-C-N 123.458 0.474 . . . . 0.0 111.203 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.44 -12.46 47.44 Favored Glycine 0 C--N 1.317 -0.515 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.619 -177.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -62.88 143.14 57.91 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -122.75 146.99 47.02 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.69 -171.23 27.48 Favored Glycine 0 N--CA 1.438 -1.22 0 C-N-CA 120.94 -0.647 . . . . 0.0 111.685 -174.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -123.11 148.85 45.22 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 -177.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.464 ' O ' ' HA ' ' A' ' 24' ' ' PRO . 22.0 t80 -86.86 113.82 22.99 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.552 0.691 . . . . 0.0 109.243 178.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.0 mmm180 -91.07 -50.48 5.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.221 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.521 ' HG3' ' HB3' ' A' ' 56' ' ' GLN . 26.6 pt20 -167.21 165.91 15.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.544 -177.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.5 ' HB3' HG23 ' A' ' 55' ' ' VAL . 25.3 p -140.42 167.71 21.52 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.155 0.503 . . . . 0.0 111.341 178.283 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -95.11 106.24 18.23 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 170.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -74.0 65.83 1.13 Allowed 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.4 0.619 . . . . 0.0 112.519 -167.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.17 -18.31 0.07 OUTLIER Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 121.151 -0.547 . . . . 0.0 111.86 171.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.492 ' HB ' ' HD2' ' A' ' 53' ' ' PRO . 4.1 m -122.18 160.86 45.83 Favored Pre-proline 0 CA--C 1.533 0.311 0 O-C-N 122.207 -0.584 . . . . 0.0 110.561 178.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.543 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 6.9 Cg_endo -52.6 -41.18 70.18 Favored 'Trans proline' 0 CA--C 1.544 1.021 0 C-N-CA 123.67 2.914 . . . . 0.0 116.145 -178.625 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 10.0 Cg_endo -54.75 124.8 17.1 Favored 'Trans proline' 0 C--N 1.368 1.56 0 C-N-CA 122.214 1.943 . . . . 0.0 114.183 -177.543 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.652 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 4.6 p -129.07 137.62 56.67 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.496 177.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.521 ' HB3' ' HG3' ' A' ' 47' ' ' GLN . 7.1 tp60 -92.45 107.2 19.03 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 -176.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.8 t -124.59 139.74 49.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.885 -177.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -97.24 118.55 33.92 Favored 'General case' 0 C--N 1.315 -0.891 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 176.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -94.73 122.75 37.66 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 121.65 0.738 . . . . 0.0 110.367 -177.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -70.16 -49.64 48.4 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 114.085 -1.416 . . . . 0.0 112.34 -171.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.8 p -66.09 -34.83 78.96 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.74 -171.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.1 p -83.26 -50.5 8.34 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.484 0.659 . . . . 0.0 109.782 176.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.5 21.79 18.45 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 -179.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -119.84 141.02 49.91 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 -178.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.9 m -85.79 137.09 33.03 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 170.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -143.15 146.29 33.59 Favored 'General case' 0 C--N 1.314 -0.955 0 O-C-N 123.308 0.38 . . . . 0.0 110.389 -171.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.652 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 8.8 m-90 -89.04 113.85 25.01 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 171.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.602 HG12 ' H ' ' A' ' 69' ' ' HIS . 1.4 t -104.23 -155.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.671 -171.488 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.602 ' H ' HG12 ' A' ' 68' ' ' VAL . 32.2 m-70 -138.28 133.99 33.77 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 -172.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.445 ' CD1' ' HA ' ' A' ' 53' ' ' PRO . 89.5 m95 -52.18 -45.37 65.11 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 -177.008 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.443 ' HA ' ' CD2' ' A' ' 14' ' ' TYR . 6.5 p80 -69.03 -11.38 60.74 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -173.238 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 20.1 ptp -112.1 13.06 20.6 Favored 'General case' 0 C--O 1.221 -0.43 0 O-C-N 121.679 -0.638 . . . . 0.0 111.549 -178.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.613 HD11 HG11 ' A' ' 55' ' ' VAL . 77.7 mt -99.78 128.28 45.88 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.445 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.484 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . 9.4 tp10 -100.05 125.66 46.14 Favored 'General case' 0 C--O 1.223 -0.341 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 173.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.537 HG12 ' H ' ' A' ' 77' ' ' GLY . 10.6 tt -83.13 127.66 39.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.277 0.56 . . . . 0.0 111.927 -174.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.727 HD11 ' HB2' ' A' ' 29' ' ' ARG . 85.2 mt -127.11 31.08 5.32 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 176.314 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.537 ' H ' HG12 ' A' ' 75' ' ' ILE . . . -73.34 -175.95 31.12 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.572 -173.144 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 65.0 30.09 11.95 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 123.117 0.567 . . . . 0.0 109.789 -177.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.695 ' OE1' ' HB2' ' A' ' 27' ' ' ARG . 10.1 pt-20 -66.06 -24.86 66.8 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 121.196 0.522 . . . . 0.0 111.229 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 . . . . . 0 C--O 1.242 0.668 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.294 179.394 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.56 ' O ' ' HG2' ' A' ' 7' ' ' GLU . 25.8 ptm . . . . . 0 N--CA 1.449 -0.511 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.605 ' HD2' ' O ' ' A' ' 71' ' ' HIS . 41.8 ttp180 -44.3 -33.7 1.69 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.599 1.16 . . . . 0.0 112.894 -178.292 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.82 4.34 12.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 123.759 0.662 . . . . 0.0 112.542 -171.349 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.56 ' HG2' ' O ' ' A' ' 4' ' ' MET . 51.2 mm-40 -62.19 -27.47 69.0 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 118.442 0.565 . . . . 0.0 110.99 177.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.583 ' HB2' ' HA2' ' A' ' 11' ' ' GLY . 65.3 m-85 -82.71 178.62 8.1 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.914 0.388 . . . . 0.0 110.381 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.34 -46.97 82.76 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-O 121.653 0.74 . . . . 0.0 111.375 -178.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.8 t -131.48 1.48 4.11 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.497 174.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.583 ' HA2' ' HB2' ' A' ' 8' ' ' PHE . . . 80.56 22.24 62.61 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -176.588 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -77.74 -27.1 50.36 Favored 'General case' 0 C--O 1.239 0.552 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -174.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.7 m -61.67 -27.54 68.75 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 121.666 -0.647 . . . . 0.0 110.393 177.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -60.83 -37.95 83.79 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.559 0.695 . . . . 0.0 109.354 175.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.508 ' HA ' HG22 ' A' ' 18' ' ' VAL . . . -63.13 -29.99 71.23 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.523 178.445 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 36.5 tp -70.85 -44.82 65.63 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-O 121.705 0.764 . . . . 0.0 110.155 -178.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -64.69 -53.54 45.73 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 114.519 -1.218 . . . . 0.0 110.63 177.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.508 HG22 ' HA ' ' A' ' 15' ' ' ALA . 34.2 m -62.91 -44.83 99.86 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 O-C-N 123.429 0.455 . . . . 0.0 112.148 -175.338 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.448 ' HA ' ' CZ3' ' A' ' 70' ' ' TRP . 46.2 ptt85 -59.14 -25.74 64.15 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 118.48 0.582 . . . . 0.0 111.861 -178.512 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -87.62 -43.95 11.58 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.933 -0.479 . . . . 0.0 111.771 -177.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.2 m -82.97 -24.6 32.88 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.299 0.571 . . . . 0.0 111.952 -173.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.424 HD12 ' HB3' ' A' ' 26' ' ' MET . 19.1 tp -70.93 94.52 1.08 Allowed 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.178 0.513 . . . . 0.0 111.488 -176.393 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -80.69 152.37 72.29 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.689 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -57.02 110.96 0.67 Allowed 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.399 2.066 . . . . 0.0 111.429 176.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.17 -9.44 24.83 Favored Glycine 0 CA--C 1.519 0.333 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.99 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.643 ' HG3' ' HA2' ' A' ' 77' ' ' GLY . 47.2 ttm -76.15 134.81 39.84 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.368 0.604 . . . . 0.0 110.978 -178.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -74.91 150.02 39.27 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.189 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.5 m -134.37 157.32 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.119 -177.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.522 ' HB2' HD11 ' A' ' 76' ' ' LEU . 27.9 ttp-105 -126.67 143.79 51.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.607 177.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.4 tpt -87.06 141.08 28.92 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.168 177.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 31' ' ' LEU . 5.7 mp -94.98 -43.65 8.06 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-O 121.503 0.668 . . . . 0.0 111.337 -175.577 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -134.99 155.73 50.26 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 114.999 -1.001 . . . . 0.0 111.551 -176.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -74.28 135.1 42.61 Favored 'General case' 0 C--O 1.245 0.836 0 C-N-CA 122.377 0.271 . . . . 0.0 110.349 -175.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -155.6 98.82 1.98 Allowed 'General case' 0 C--O 1.244 0.779 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -171.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.504 ' HG2' ' HG3' ' A' ' 36' ' ' GLU . 42.3 tt0 69.47 -30.85 0.2 Allowed 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 165.303 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.504 ' HG3' ' HG2' ' A' ' 35' ' ' GLU . 37.1 mt-10 -163.46 -38.24 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 122.888 0.475 . . . . 0.0 110.312 -169.147 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.9 mm -101.4 150.06 6.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.304 -0.862 . . . . 0.0 108.932 -177.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.8 t -117.9 155.78 29.59 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.939 0.4 . . . . 0.0 110.28 -175.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.3 123.64 17.87 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.118 175.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.71 -13.49 50.23 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.874 -176.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -66.25 150.03 49.43 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 117.699 0.75 . . . . 0.0 110.39 175.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -129.65 150.08 51.13 Favored 'General case' 0 C--O 1.244 0.8 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.897 -177.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -158.08 -171.81 24.46 Favored Glycine 0 CA--C 1.501 -0.815 0 C-N-CA 120.648 -0.787 . . . . 0.0 111.851 -177.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -126.76 150.69 48.97 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.958 0.885 . . . . 0.0 109.379 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.572 ' HE1' ' HG ' ' A' ' 48' ' ' SER . 59.3 t80 -95.07 118.67 32.28 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.008 -179.407 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 54.8 mtp85 -107.94 -51.97 2.83 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.926 0.393 . . . . 0.0 111.694 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.417 ' O ' ' HB3' ' A' ' 56' ' ' GLN . 11.1 pt20 -159.76 148.36 17.49 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.21 -175.437 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.74 ' OG ' HG23 ' A' ' 55' ' ' VAL . 59.9 m -165.19 -174.81 3.39 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 121.337 0.589 . . . . 0.0 111.729 -175.134 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -124.65 131.99 53.44 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 178.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.402 ' OD1' ' HD2' ' A' ' 19' ' ' ARG . 9.0 t30 -78.27 -62.83 1.55 Allowed 'General case' 0 C--N 1.309 -1.152 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -175.621 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -45.99 -55.91 7.13 Favored Glycine 0 C--N 1.339 0.715 0 CA-C-N 115.871 -0.604 . . . . 0.0 114.331 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.42 ' C ' ' HD2' ' A' ' 54' ' ' PRO . 24.7 m -92.11 146.52 32.89 Favored Pre-proline 0 C--N 1.317 -0.847 0 CA-C-O 121.6 0.714 . . . . 0.0 111.602 -178.079 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.533 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 9.2 Cg_endo -54.28 -38.56 88.55 Favored 'Trans proline' 0 CA--C 1.551 1.333 0 C-N-CA 124.204 3.27 . . . . 0.0 116.914 -175.095 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 11.7 Cg_endo -53.96 114.25 1.7 Allowed 'Trans proline' 0 C--N 1.368 1.583 0 C-N-CA 122.1 1.867 . . . . 0.0 114.132 -174.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.74 HG23 ' OG ' ' A' ' 48' ' ' SER . 2.3 p -118.9 127.82 75.76 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-N 115.131 -0.941 . . . . 0.0 108.858 176.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.417 ' HB3' ' O ' ' A' ' 47' ' ' GLN . 36.3 tt0 -93.17 112.95 25.04 Favored 'General case' 0 C--N 1.314 -0.975 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.615 -177.407 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 91.3 t -121.24 131.67 72.46 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.503 -177.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.414 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 71.5 t80 -88.66 113.42 24.2 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 175.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -91.03 111.53 23.03 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.218 -177.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -84.34 -25.58 29.09 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-O 121.226 0.536 . . . . 0.0 111.822 -170.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.9 p -69.39 -33.62 73.3 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.504 177.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.6 m -90.15 -54.36 4.06 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.489 0.662 . . . . 0.0 110.092 174.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.07 22.63 6.14 Favored Glycine 0 C--N 1.318 -0.453 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.41 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -137.35 148.91 46.62 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' A' ' 58' ' ' PHE . 2.1 m -84.97 145.62 27.64 Favored 'General case' 0 C--N 1.317 -0.827 0 O-C-N 123.487 0.492 . . . . 0.0 109.876 175.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -148.16 148.19 30.29 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 123.389 0.431 . . . . 0.0 110.322 -176.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.466 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 23.6 m-90 -95.77 116.04 28.31 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 174.249 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.441 HG12 ' H ' ' A' ' 69' ' ' HIS . 0.7 OUTLIER -109.41 -177.78 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 -175.388 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.698 ' O ' ' HG2' ' A' ' 72' ' ' MET . 55.3 m-70 -99.69 136.29 39.85 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 171.183 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.448 ' CZ3' ' HA ' ' A' ' 19' ' ' ARG . 91.0 m95 -49.22 -44.72 43.59 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -177.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.605 ' O ' ' HD2' ' A' ' 5' ' ' ARG . 1.5 p-80 -67.69 -4.44 12.17 Favored 'General case' 0 C--O 1.213 -0.85 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -172.046 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.698 ' HG2' ' O ' ' A' ' 69' ' ' HIS . 12.7 ptm -117.77 21.09 13.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 118.597 0.635 . . . . 0.0 111.393 -178.211 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.508 HD11 HG11 ' A' ' 55' ' ' VAL . 95.7 mt -108.56 136.38 48.25 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 122.061 -0.399 . . . . 0.0 110.715 178.434 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.402 ' HG3' ' NH2' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -106.84 134.39 50.06 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 177.195 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.462 HD11 ' HA ' ' A' ' 18' ' ' VAL . 21.3 mt -95.58 135.32 30.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.851 0.357 . . . . 0.0 111.862 -175.42 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.522 HD11 ' HB2' ' A' ' 29' ' ' ARG . 8.9 mp -102.16 -66.94 0.89 Allowed 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 171.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.643 ' HA2' ' HG3' ' A' ' 26' ' ' MET . . . 62.4 -156.05 39.2 Favored Glycine 0 CA--C 1.502 -0.774 0 CA-C-N 114.88 -1.054 . . . . 0.0 112.764 178.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -132.3 18.42 4.44 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 175.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -58.84 -38.7 79.31 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.523 174.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 . . . . . 0 C--N 1.323 -0.57 0 CA-C-N 114.563 -1.198 . . . . 0.0 108.62 175.383 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.513 ' HB2' ' CG ' ' A' ' 7' ' ' GLU . 66.1 mtt . . . . . 0 N--CA 1.451 -0.414 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.659 ' HD3' ' O ' ' A' ' 71' ' ' HIS . 14.7 ttm180 -53.52 -55.68 23.38 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 124.067 0.854 . . . . 0.0 112.029 -170.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.9 t -93.11 10.59 30.97 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.278 0.561 . . . . 0.0 111.907 -174.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.513 ' CG ' ' HB2' ' A' ' 4' ' ' MET . 33.2 mm-40 -93.86 11.77 28.22 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.835 -0.54 . . . . 0.0 111.957 -176.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.531 ' HB3' ' HB ' ' A' ' 13' ' ' THR . 16.3 m-85 -74.41 169.67 17.21 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 174.487 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -49.92 -46.04 51.66 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -173.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.9 t -117.18 10.03 13.7 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-O 121.714 0.769 . . . . 0.0 110.152 178.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.68 -58.79 3.41 Favored Glycine 0 CA--C 1.524 0.616 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.908 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -59.75 -22.06 61.57 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 123.099 0.56 . . . . 0.0 111.515 178.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.547 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 1.2 m -51.68 -30.7 22.96 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 123.393 0.677 . . . . 0.0 111.814 -176.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.411 ' O ' HG13 ' A' ' 18' ' ' VAL . 77.6 t80 -62.75 -44.94 94.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.478 0.656 . . . . 0.0 110.044 176.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.545 ' HB1' ' HB2' ' A' ' 70' ' ' TRP . . . -65.7 -34.66 78.72 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.549 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 13' ' ' THR . 4.2 pp -76.59 -26.36 54.96 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.529 0.68 . . . . 0.0 110.233 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -72.59 -53.56 11.56 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-O 121.181 0.515 . . . . 0.0 111.088 174.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.493 HG22 ' HA ' ' A' ' 15' ' ' ALA . 33.2 m -56.46 -32.24 35.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -176.316 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.527 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -65.84 -17.28 64.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.425 0.631 . . . . 0.0 111.402 -179.691 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -83.84 -40.01 19.22 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.897 0.856 . . . . 0.0 110.639 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.3 m -81.29 -41.28 22.38 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.901 -178.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.64 HD23 ' HB ' ' A' ' 75' ' ' ILE . 0.5 OUTLIER -83.08 98.73 9.46 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.938 0.875 . . . . 0.0 110.397 -177.791 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -90.11 161.57 37.5 Favored Pre-proline 0 C--O 1.238 0.476 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.845 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.424 ' HA ' ' CD2' ' A' ' 45' ' ' PHE . 62.0 Cg_exo -52.49 122.24 10.48 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.353 2.702 . . . . 0.0 111.811 177.566 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.73 -22.85 15.97 Favored Glycine 0 C--O 1.218 -0.88 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.804 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.695 ' HA ' ' HB2' ' A' ' 78' ' ' PHE . 42.1 mtt -76.09 148.97 37.52 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.139 0.495 . . . . 0.0 111.347 -177.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.534 ' HB3' HD23 ' A' ' 76' ' ' LEU . 20.8 mtt180 -82.61 159.36 22.73 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.865 0.84 . . . . 0.0 112.406 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.6 m -141.82 155.03 19.67 Favored 'Isoleucine or valine' 0 C--O 1.242 0.686 0 CA-C-N 114.538 -1.21 . . . . 0.0 111.295 -179.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 29' ' ' ARG . 13.7 ttp180 -124.87 132.29 53.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.933 0.397 . . . . 0.0 110.572 175.535 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.487 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 15.7 tpt -81.03 125.54 30.3 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.049 0.452 . . . . 0.0 111.106 -179.216 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.581 HD11 ' HB2' ' A' ' 74' ' ' GLU . 96.4 mt -94.1 -17.17 23.09 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -175.622 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -128.04 165.2 20.77 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 122.123 -0.36 . . . . 0.0 111.101 -175.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -84.83 124.23 31.35 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 174.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -146.95 92.82 2.18 Favored 'General case' 0 C--O 1.244 0.764 0 O-C-N 122.077 -0.389 . . . . 0.0 110.434 -174.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 59.74 -113.43 0.63 Allowed 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.143 178.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -75.57 -21.16 58.11 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.088 -176.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 26.2 mm -96.78 142.99 13.14 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-O 120.821 0.344 . . . . 0.0 110.315 -178.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.3 m -116.94 157.86 25.03 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.47 -178.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.31 125.75 24.9 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 176.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.21 -12.44 44.32 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.97 -0.633 . . . . 0.0 113.453 -177.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -64.85 146.77 54.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 117.528 0.664 . . . . 0.0 110.214 176.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -129.16 151.48 49.79 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 120.996 0.427 . . . . 0.0 110.269 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.405 ' O ' ' HG2' ' A' ' 27' ' ' ARG . . . -163.96 -171.35 30.1 Favored Glycine 0 N--CA 1.436 -1.357 0 C-N-CA 121.243 -0.503 . . . . 0.0 112.869 -178.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -120.43 143.83 48.27 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 110.537 -0.172 . . . . 0.0 110.537 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.424 ' CD2' ' HA ' ' A' ' 24' ' ' PRO . 56.5 t80 -86.05 115.16 23.47 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -179.199 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -83.4 -55.75 4.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.884 -177.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.464 HE21 ' HG2' ' A' ' 56' ' ' GLN . 4.8 pm0 -173.02 169.7 4.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.879 -175.262 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.6 p -152.25 174.29 13.96 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -118.84 106.11 12.19 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 122.436 -0.165 . . . . 0.0 111.404 -175.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.3 m120 58.19 -94.06 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 O-C-N 123.926 0.766 . . . . 0.0 112.093 175.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -153.85 40.41 0.67 Allowed Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 177.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.6 m -84.06 143.98 43.63 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 115.347 -0.427 . . . . 0.0 110.958 -176.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.478 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 35.6 Cg_exo -48.87 -46.89 23.17 Favored 'Trans proline' 0 CA--C 1.543 0.973 0 C-N-CA 123.141 2.561 . . . . 0.0 113.58 178.08 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 34.5 Cg_endo -65.59 135.82 43.71 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 121.722 1.615 . . . . 0.0 111.695 176.016 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.501 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 7.4 p -129.28 140.37 49.36 Favored 'Isoleucine or valine' 0 C--O 1.246 0.915 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -177.339 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.464 ' HG2' HE21 ' A' ' 47' ' ' GLN . 5.4 tp-100 -94.97 107.08 19.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.59 0.709 . . . . 0.0 109.828 -177.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 86.8 t -121.74 138.51 51.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.523 -176.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -93.33 112.1 23.94 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.648 174.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.487 ' CH2' ' HB2' ' A' ' 30' ' ' MET . 98.0 m95 -91.27 112.78 24.83 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -178.57 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -75.17 -31.36 60.96 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.022 -170.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.4 p -67.54 -35.1 78.41 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.83 0.824 . . . . 0.0 111.231 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.73 -50.9 7.21 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.459 0.647 . . . . 0.0 110.171 175.325 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.24 11.76 23.18 Favored Glycine 0 N--CA 1.44 -1.085 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.363 175.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.91 163.39 29.95 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 122.539 -0.389 . . . . 0.0 110.188 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.4 p -86.89 149.56 24.72 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.194 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -148.01 148.39 30.67 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 121.192 0.52 . . . . 0.0 109.817 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.501 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 13.4 m-90 -92.32 115.46 28.11 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 174.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.478 HG12 ' H ' ' A' ' 69' ' ' HIS . 2.2 t -113.65 179.91 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.478 ' H ' HG12 ' A' ' 68' ' ' VAL . 29.9 m-70 -102.67 136.14 43.05 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 168.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.545 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . 96.1 m95 -44.47 -46.52 9.71 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -173.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.659 ' O ' ' HD3' ' A' ' 5' ' ' ARG . 6.4 p80 -73.75 0.0 14.35 Favored 'General case' 0 C--O 1.221 -0.447 0 C-N-CA 119.813 -0.755 . . . . 0.0 113.034 -172.297 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.414 ' HB3' ' CE ' ' A' ' 30' ' ' MET . 15.8 mmt -84.33 -23.98 29.98 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-O 121.131 0.491 . . . . 0.0 111.694 178.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.3 pp -111.76 151.27 29.16 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-O 122.289 1.042 . . . . 0.0 111.081 -172.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.581 ' HB2' HD11 ' A' ' 31' ' ' LEU . 42.1 tt0 -99.21 139.91 34.17 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 113.85 -1.523 . . . . 0.0 108.666 175.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.64 ' HB ' HD23 ' A' ' 22' ' ' LEU . 32.2 pt -80.47 112.29 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.122 0 CA-C-O 121.139 0.495 . . . . 0.0 109.936 -178.18 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.534 HD23 ' HB3' ' A' ' 27' ' ' ARG . 35.2 tp -86.01 -33.01 21.17 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.403 -175.178 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.47 -176.65 29.06 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.668 174.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.695 ' HB2' ' HA ' ' A' ' 26' ' ' MET . 0.7 OUTLIER -176.24 138.34 0.32 Allowed 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 -178.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -73.73 57.36 0.58 Allowed 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 121.69 0.757 . . . . 0.0 110.406 178.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 N--CA 1.472 0.627 0 CA-C-N 114.909 -1.042 . . . . 0.0 111.991 179.858 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.637 ' HB3' ' HG2' ' A' ' 7' ' ' GLU . 25.0 ttt . . . . . 0 N--CA 1.45 -0.446 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.688 ' HG2' ' HB2' ' A' ' 71' ' ' HIS . 0.0 OUTLIER -64.37 -47.36 79.56 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.347 0.594 . . . . 0.0 111.105 -173.674 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 p -74.18 4.8 5.12 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.957 -174.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.637 ' HG2' ' HB3' ' A' ' 4' ' ' MET . 16.2 mm-40 -79.27 -20.23 48.59 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.22 0.533 . . . . 0.0 110.207 176.231 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.559 ' HB3' ' HB ' ' A' ' 13' ' ' THR . 52.8 m-85 -78.37 167.16 21.75 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.425 177.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.07 -45.83 61.54 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-O 121.686 0.755 . . . . 0.0 112.952 -176.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.3 t -117.31 -0.07 12.11 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 -177.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.518 ' HA2' ' O ' ' A' ' 5' ' ' ARG . . . 77.02 -55.25 3.52 Favored Glycine 0 N--CA 1.47 0.956 0 CA-C-O 121.684 0.602 . . . . 0.0 112.369 -175.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -58.58 -25.08 62.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.927 -0.637 . . . . 0.0 109.948 175.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.559 ' HB ' ' HB3' ' A' ' 8' ' ' PHE . 3.1 m -49.63 -30.84 9.59 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 124.638 1.211 . . . . 0.0 111.968 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -62.36 -54.75 35.88 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.382 0.611 . . . . 0.0 110.088 176.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.431 ' HA ' HG22 ' A' ' 18' ' ' VAL . . . -63.36 -29.88 71.11 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.343 178.356 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.8 tp -73.73 -38.96 64.63 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.836 -179.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -65.23 -53.04 50.34 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.65 178.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.431 HG22 ' HA ' ' A' ' 15' ' ' ALA . 29.1 m -60.59 -37.64 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.285 -176.316 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -29.0 64.18 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 122.201 0.2 . . . . 0.0 110.733 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -74.89 -52.41 11.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.884 0.373 . . . . 0.0 111.943 -178.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.2 m -83.69 -32.23 25.67 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.005 0.431 . . . . 0.0 111.744 -173.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.494 ' HA ' ' SD ' ' A' ' 26' ' ' MET . 38.9 tp -68.34 96.56 0.67 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.947 0.404 . . . . 0.0 110.822 -176.128 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -93.32 167.24 14.46 Favored Pre-proline 0 N--CA 1.441 -0.914 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.945 176.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.433 ' HA ' ' O ' ' A' ' 45' ' ' PHE . 23.5 Cg_exo -62.81 130.88 30.89 Favored 'Trans proline' 0 C--O 1.237 0.472 0 C-N-CA 122.574 2.182 . . . . 0.0 110.896 175.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.31 -9.24 62.92 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.293 -0.956 . . . . 0.0 111.721 -178.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.624 ' HG3' ' HA2' ' A' ' 77' ' ' GLY . 52.0 ttm -83.64 132.27 34.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 122.332 -0.511 . . . . 0.0 110.231 179.595 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.4 mtm180 -81.13 148.78 29.44 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.26 0.552 . . . . 0.0 112.389 -176.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.48 HG21 HD23 ' A' ' 73' ' ' LEU . 30.7 m -133.24 159.21 43.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 114.465 -1.243 . . . . 0.0 110.353 -178.156 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 29' ' ' ARG . 13.8 ttp180 -120.32 129.23 53.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.101 174.374 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.545 ' HG2' HG22 ' A' ' 37' ' ' ILE . 11.9 tpt -75.38 121.33 22.1 Favored 'General case' 0 C--N 1.315 -0.891 0 N-CA-C 109.732 -0.469 . . . . 0.0 109.732 178.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.506 HD21 ' HB2' ' A' ' 74' ' ' GLU . 97.7 mt -92.37 -9.04 43.2 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 113.261 0.838 . . . . 0.0 113.261 -174.681 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -147.46 155.83 42.28 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 121.431 -0.793 . . . . 0.0 110.962 -177.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.609 ' HA ' ' HA ' ' A' ' 38' ' ' SER . 20.7 t70 -87.31 130.53 34.58 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.032 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -154.58 98.93 2.13 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.048 -171.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.444 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 16.9 mt-10 57.72 -1.04 0.08 Allowed 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 116.194 1.924 . . . . 0.0 116.194 166.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 35' ' ' GLU . 34.6 tt0 177.36 -42.96 0.01 OUTLIER 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 177.666 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.545 HG22 ' HG2' ' A' ' 30' ' ' MET . 25.9 mm -95.62 146.59 6.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.315 -178.311 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.609 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 49.8 m -123.03 160.69 25.8 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 120.875 0.369 . . . . 0.0 111.462 -173.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.04 124.31 20.15 Favored 'General case' 0 C--O 1.245 0.824 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.523 178.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.74 -14.47 45.79 Favored Glycine 0 C--N 1.335 0.526 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.614 -177.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.51 ' CG ' ' HB3' ' A' ' 61' ' ' SER . 6.6 t0 -64.68 140.27 58.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 122.075 -0.662 . . . . 0.0 109.329 175.401 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.529 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 46.3 mt-10 -110.9 145.68 37.88 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -178.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -150.16 174.65 29.52 Favored Glycine 0 N--CA 1.438 -1.188 0 C-N-CA 119.401 -1.38 . . . . 0.0 112.465 -173.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -122.68 142.36 50.77 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.433 ' O ' ' HA ' ' A' ' 24' ' ' PRO . 85.3 t80 -85.45 116.67 23.9 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -178.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.431 ' HA ' ' HD3' ' A' ' 46' ' ' ARG . 21.0 mmt180 -91.94 -53.37 4.3 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.264 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.91 163.45 11.56 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.974 -0.291 . . . . 0.0 110.359 -176.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.8 p -124.42 150.71 45.33 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.643 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -86.34 124.03 32.25 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 176.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -62.88 122.65 16.51 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.276 -0.874 . . . . 0.0 111.462 -170.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.43 -35.15 3.91 Favored Glycine 0 N--CA 1.44 -1.089 0 CA-C-N 115.853 -0.612 . . . . 0.0 113.416 174.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.409 ' HB ' ' HD2' ' A' ' 54' ' ' PRO . 14.7 m -104.69 156.89 35.26 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -172.287 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.536 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 52.3 Cg_exo -53.78 -45.99 37.01 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 123.885 3.057 . . . . 0.0 116.157 -178.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 9.1 Cg_endo -50.03 128.01 20.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 C-N-CA 122.7 2.267 . . . . 0.0 113.806 -174.538 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.694 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 8.0 p -128.78 138.29 54.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.359 179.083 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.514 ' NE2' ' HB ' ' A' ' 65' ' ' THR . 6.1 tp60 -98.2 110.0 22.66 Favored 'General case' 0 C--O 1.237 0.434 0 O-C-N 121.633 -0.667 . . . . 0.0 110.088 -175.167 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.598 HG21 HD21 ' A' ' 73' ' ' LEU . 91.3 t -123.98 132.81 70.77 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.845 -177.334 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -90.45 112.84 24.62 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.629 177.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.424 ' CZ3' ' HB2' ' A' ' 30' ' ' MET . 91.9 m95 -95.78 123.2 39.25 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -176.7 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.529 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -83.64 -25.21 30.96 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -171.221 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.51 ' HB3' ' CG ' ' A' ' 41' ' ' ASP . 22.8 t -70.94 -35.95 72.41 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.489 0.661 . . . . 0.0 109.604 -178.242 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.3 p -92.4 -39.8 11.24 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.507 0.67 . . . . 0.0 110.529 175.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.59 29.92 9.58 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.675 176.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 57.0 mtt85 -138.1 154.12 49.25 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 122.396 0.278 . . . . 0.0 110.686 -178.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.514 ' HB ' ' NE2' ' A' ' 56' ' ' GLN . 21.6 p -83.13 147.36 28.13 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 169.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -152.8 146.51 25.13 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.389 0.614 . . . . 0.0 110.439 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.694 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 24.3 m-90 -94.97 114.63 26.48 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 178.517 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.488 ' O ' HG12 ' A' ' 55' ' ' VAL . 1.6 t -115.06 177.22 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.852 -174.245 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.479 ' H ' HG12 ' A' ' 68' ' ' VAL . 2.2 m80 -93.26 134.63 35.27 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 172.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -48.59 -47.58 39.71 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -177.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.688 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 2.6 p-80 -72.34 4.09 4.07 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -173.13 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.468 ' HG3' ' HB2' ' A' ' 69' ' ' HIS . 57.8 mtp -97.52 -9.0 27.91 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 122.291 -0.256 . . . . 0.0 110.751 177.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.598 HD21 HG21 ' A' ' 57' ' ' VAL . 8.0 mp -103.51 137.06 42.1 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 120.805 0.336 . . . . 0.0 110.869 -174.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.506 ' HB2' HD21 ' A' ' 31' ' ' LEU . 39.3 tt0 -95.75 134.82 38.24 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 172.008 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.6 tt -88.1 108.91 19.11 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 CA-C-O 122.519 1.152 . . . . 0.0 110.226 -174.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 82.3 mt -80.53 -51.64 8.54 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.092 176.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.624 ' HA2' ' HG3' ' A' ' 26' ' ' MET . . . 81.62 -124.56 6.51 Favored Glycine 0 N--CA 1.444 -0.82 0 O-C-N 124.318 1.011 . . . . 0.0 112.049 178.187 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -142.09 19.37 2.11 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -68.33 -17.97 64.38 Favored 'General case' 0 N--CA 1.457 -0.089 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.875 -175.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.431 ' CD ' ' H ' ' A' ' 80' ' ' GLU . 2.3 mp0 . . . . . 0 N--CA 1.443 -0.822 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.451 ' HE2' ' HA ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.443 -0.785 0 CA-C-O 120.649 0.262 . . . . 0.0 110.95 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -65.76 -33.21 75.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 122.218 1.008 . . . . 0.0 110.975 177.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.517 ' HA ' ' HA2' ' A' ' 11' ' ' GLY . 45.9 m -80.05 13.77 2.13 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 114.291 -1.322 . . . . 0.0 111.236 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.451 ' HA ' ' HE2' ' A' ' 4' ' ' MET . 21.2 tt0 -64.98 -25.79 68.01 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.145 0.497 . . . . 0.0 111.105 -178.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.476 ' CD1' ' HB2' ' A' ' 14' ' ' TYR . 76.5 m-85 -81.92 175.59 10.26 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.068 -178.567 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -47.55 -46.8 28.21 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 124.025 0.93 . . . . 0.0 113.188 -170.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.9 m -127.81 13.76 6.89 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-O 121.977 0.894 . . . . 0.0 110.942 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.517 ' HA2' ' HA ' ' A' ' 6' ' ' SER . . . 75.42 -64.75 2.47 Favored Glycine 0 C--N 1.334 0.439 0 CA-C-N 115.147 -0.933 . . . . 0.0 112.919 -176.006 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -56.81 -23.77 46.0 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.113 -0.543 . . . . 0.0 111.399 176.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 m -52.28 -30.91 30.19 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.157 179.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.476 ' HB2' ' CD1' ' A' ' 8' ' ' PHE . 61.7 t80 -65.24 -50.28 66.41 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-O 121.334 0.588 . . . . 0.0 109.932 175.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.544 ' HB2' ' HA ' ' A' ' 71' ' ' HIS . . . -59.65 -31.48 69.57 Favored 'General case' 0 N--CA 1.438 -1.044 0 C-N-CA 123.661 0.784 . . . . 0.0 110.519 176.011 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.6 tp -69.6 -36.05 75.85 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.508 176.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -65.87 -48.9 70.01 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.655 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 19.4 m -63.09 -42.73 97.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.416 177.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -57.94 -41.6 83.14 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.419 0.628 . . . . 0.0 111.03 177.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -56.85 -34.69 68.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.348 -176.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.452 ' HB ' HD12 ' A' ' 75' ' ' ILE . 3.2 m -109.43 -2.86 17.45 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.824 -174.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.657 HD12 ' HZ3' ' A' ' 70' ' ' TRP . 19.6 mt -81.27 100.07 8.96 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 177.467 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -92.08 161.5 33.07 Favored Pre-proline 0 C--N 1.309 -1.183 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.109 174.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.11 110.57 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.093 1.862 . . . . 0.0 111.787 173.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.25 -8.51 26.83 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.788 -176.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.429 ' HB3' HD22 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -73.01 136.16 45.03 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.202 0.525 . . . . 0.0 110.099 178.656 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.469 ' HD3' ' HE1' ' A' ' 78' ' ' PHE . 48.3 ttt180 -83.2 151.23 25.77 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.287 -178.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.7 m -137.78 157.43 33.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.74 0.781 . . . . 0.0 111.054 -177.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.528 ' HB2' HD11 ' A' ' 76' ' ' LEU . 43.1 ttp180 -128.47 143.74 51.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.189 174.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.406 ' HG2' HG22 ' A' ' 37' ' ' ILE . 13.2 tpt -80.36 119.36 22.98 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.596 -178.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.0 mt -90.72 -27.03 19.23 Favored 'General case' 0 C--O 1.243 0.74 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -177.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.49 ' HB2' ' HB2' ' A' ' 72' ' ' MET . 1.9 m-20 -113.85 167.99 10.17 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.775 0.321 . . . . 0.0 110.54 -174.533 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -98.33 126.91 44.03 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.244 0.545 . . . . 0.0 110.038 177.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.41 ' HE2' ' OH ' ' A' ' 66' ' ' TYR . 31.8 t80 -120.97 178.07 4.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.791 -171.651 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -84.29 28.75 0.61 Allowed 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.651 -175.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -173.45 -41.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.701 0.762 . . . . 0.0 109.34 -175.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.406 HG22 ' HG2' ' A' ' 30' ' ' MET . 32.5 mm -114.12 157.0 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 113.75 -1.568 . . . . 0.0 108.81 -179.087 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.3 t -131.06 163.4 27.7 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -176.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.39 128.83 38.25 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-O 121.026 0.441 . . . . 0.0 110.228 -179.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.26 -18.25 42.44 Favored Glycine 0 CA--C 1.521 0.423 0 CA-C-N 115.765 -0.652 . . . . 0.0 113.322 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -62.59 138.29 58.45 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 117.206 0.503 . . . . 0.0 109.905 174.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 39.9 mt-10 -116.5 157.54 25.04 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 121.28 0.562 . . . . 0.0 110.472 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -162.64 -171.37 28.76 Favored Glycine 0 CA--C 1.505 -0.536 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.898 178.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -122.0 148.57 44.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.554 0.692 . . . . 0.0 110.151 -178.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.486 ' HE1' ' HB3' ' A' ' 48' ' ' SER . 71.5 t80 -91.49 120.27 32.16 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.125 -178.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -99.24 -50.65 4.06 Favored 'General case' 0 C--N 1.315 -0.911 0 O-C-N 121.865 -0.522 . . . . 0.0 111.535 179.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -165.49 159.71 17.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.421 0.629 . . . . 0.0 110.688 -175.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.61 ' HB3' HG23 ' A' ' 55' ' ' VAL . 17.9 p -145.79 177.82 8.63 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.637 -177.399 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -111.32 104.53 13.0 Favored 'General case' 0 N--CA 1.434 -1.226 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 167.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -81.46 79.12 8.13 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.954 0.883 . . . . 0.0 111.494 -170.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 167.25 -28.34 0.17 Allowed Glycine 0 N--CA 1.44 -1.088 0 N-CA-C 109.875 -1.29 . . . . 0.0 109.875 177.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.456 ' HB ' ' HD2' ' A' ' 53' ' ' PRO . 10.9 m -117.28 164.74 17.85 Favored Pre-proline 0 C--N 1.325 -0.488 0 C-N-CA 122.752 0.421 . . . . 0.0 110.761 177.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.512 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 34.6 Cg_exo -55.55 -48.29 21.18 Favored 'Trans proline' 0 CA--C 1.55 1.312 0 C-N-CA 123.63 2.887 . . . . 0.0 115.588 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 10.0 Cg_endo -52.45 116.9 3.15 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 122.128 1.885 . . . . 0.0 114.424 -173.732 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.61 HG23 ' HB3' ' A' ' 48' ' ' SER . 2.7 p -129.81 136.56 58.75 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.391 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.891 174.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -95.76 111.91 23.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.619 0.723 . . . . 0.0 110.862 -175.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.5 t -122.9 140.97 45.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.726 -176.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -95.49 111.07 23.04 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 174.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -83.38 113.53 20.8 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.772 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.449 ' CD ' HH21 ' A' ' 27' ' ' ARG . 12.5 pt-20 -77.82 -20.61 52.88 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.341 0.591 . . . . 0.0 110.223 -175.458 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.2 t -65.42 -43.5 90.33 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.737 177.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.2 m -96.58 -33.34 11.83 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.901 0.858 . . . . 0.0 110.167 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.92 23.72 24.66 Favored Glycine 0 CA--C 1.521 0.462 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.731 178.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 64' ' ' ARG . 10.1 ptp180 -133.07 151.51 52.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.341 0.591 . . . . 0.0 111.296 -177.404 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -81.31 138.87 35.67 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.296 -0.866 . . . . 0.0 109.538 173.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.41 ' OH ' ' HE2' ' A' ' 34' ' ' TYR . 37.7 t80 -152.1 149.51 28.88 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.442 0.163 . . . . 0.0 111.414 -177.253 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.514 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 22.1 m-90 -97.02 117.99 32.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.585 178.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.482 HG12 ' H ' ' A' ' 69' ' ' HIS . 1.0 OUTLIER -117.06 -179.58 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -174.32 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.518 ' HB2' ' SD ' ' A' ' 72' ' ' MET . 33.0 m-70 -103.37 136.61 42.8 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.257 0.551 . . . . 0.0 109.856 174.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.657 ' HZ3' HD12 ' A' ' 22' ' ' LEU . 99.1 m95 -52.13 -36.32 50.89 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -179.302 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.544 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . 35.9 p-80 -63.53 -14.22 48.98 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -171.291 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.518 ' SD ' ' HB2' ' A' ' 69' ' ' HIS . 0.6 OUTLIER -115.58 13.31 16.32 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.985 -176.041 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 74.0 mt -106.59 133.39 51.34 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 73.3 tt0 -100.1 135.16 41.95 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.931 176.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.452 HD12 ' HB ' ' A' ' 21' ' ' THR . 7.9 tt -76.41 124.52 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.912 177.151 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.528 HD11 ' HB2' ' A' ' 29' ' ' ARG . 89.1 mt -119.45 80.13 1.52 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.407 0.623 . . . . 0.0 109.581 172.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -85.42 100.68 2.47 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.5 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.469 ' HE1' ' HD3' ' A' ' 27' ' ' ARG . 86.5 m-85 -84.23 5.76 25.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.706 0.289 . . . . 0.0 110.709 178.258 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -82.13 88.86 6.44 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.069 173.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 . . . . . 0 N--CA 1.475 0.777 0 C-N-CA 124.121 0.968 . . . . 0.0 111.761 -177.736 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.437 ' HB3' ' OE1' ' A' ' 74' ' ' GLU . 0.9 OUTLIER . . . . . 0 N--CA 1.468 0.448 0 CA-C-O 120.912 0.387 . . . . 0.0 111.146 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 65.1 mtt-85 -69.1 -35.58 76.61 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.446 -175.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 m -69.48 1.28 4.13 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -171.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -74.5 -70.14 0.42 Allowed 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -175.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.478 ' CD1' ' HB2' ' A' ' 14' ' ' TYR . 39.4 m-85 53.86 -158.49 0.17 Allowed 'General case' 0 C--O 1.224 -0.279 0 O-C-N 123.609 0.568 . . . . 0.0 111.23 -176.053 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.94 -47.11 48.4 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.484 174.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.3 m -133.49 1.74 3.44 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.324 0.583 . . . . 0.0 111.553 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.34 -5.25 44.87 Favored Glycine 0 CA--C 1.502 -0.721 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.617 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -70.91 -27.5 63.83 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.198 0.523 . . . . 0.0 110.807 -177.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.8 m -70.85 -35.25 72.33 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 178.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.478 ' HB2' ' CD1' ' A' ' 8' ' ' PHE . 75.1 t80 -68.43 -41.2 80.7 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.558 176.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.23 -34.04 68.17 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.009 175.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.0 tp -72.97 -42.33 63.46 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.668 176.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -62.09 -54.77 36.64 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.593 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.745 ' HB ' HD23 ' A' ' 22' ' ' LEU . 27.8 m -57.0 -29.45 31.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 112.916 0.709 . . . . 0.0 112.916 -177.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.411 HH21 ' HH2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -47.64 -49.61 26.78 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 179.286 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -86.81 -22.46 25.85 Favored 'General case' 0 C--N 1.315 -0.934 0 O-C-N 122.06 -0.4 . . . . 0.0 110.836 -177.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.9 m -87.02 -25.9 24.01 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.022 0.439 . . . . 0.0 110.929 -172.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.745 HD23 ' HB ' ' A' ' 18' ' ' VAL . 3.8 mm? -78.53 100.54 6.95 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.481 0.658 . . . . 0.0 111.236 -178.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -98.39 137.07 20.69 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.098 172.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -49.62 101.65 0.05 OUTLIER 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 123.046 2.498 . . . . 0.0 111.796 175.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.38 -8.97 6.23 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.748 -175.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.497 ' SD ' ' HA2' ' A' ' 77' ' ' GLY . 50.3 tpp -82.41 128.59 34.39 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 179.324 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 43' ' ' GLY . 20.0 ttm180 -79.52 141.53 36.59 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 121.332 0.586 . . . . 0.0 112.285 -177.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.601 HG12 HG22 ' A' ' 75' ' ' ILE . 34.1 m -123.2 160.21 26.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.63 -176.705 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.3 ttt85 -122.7 132.68 54.37 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.565 174.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 13.5 tpt -79.62 105.13 10.7 Favored 'General case' 0 C--O 1.238 0.468 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 172.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.458 ' CD1' ' H ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -95.34 -11.26 28.1 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 122.152 -0.342 . . . . 0.0 111.717 -173.852 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -118.54 139.29 51.68 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 175.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -84.39 146.84 27.46 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 122.044 -0.41 . . . . 0.0 110.908 -172.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -153.26 153.91 33.59 Favored 'General case' 0 C--O 1.209 -1.045 0 CA-C-N 115.2 -0.909 . . . . 0.0 108.821 -174.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.479 ' CD ' ' H ' ' A' ' 35' ' ' GLU . 1.5 mp0 -39.14 -71.8 0.07 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 178.358 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -67.11 -55.28 14.9 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 122.426 0.29 . . . . 0.0 111.325 -174.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -105.3 136.58 38.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 O-C-N 123.806 0.691 . . . . 0.0 109.645 -177.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.4 m -110.09 155.59 21.69 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.848 -168.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.28 127.26 31.24 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 176.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.65 -14.2 46.26 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.236 -0.983 . . . . 0.0 112.05 -176.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -70.82 144.3 50.83 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-O 121.698 0.761 . . . . 0.0 109.564 177.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -131.54 149.32 52.56 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 -176.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.482 ' HA2' ' HG2' ' A' ' 60' ' ' GLU . . . -166.41 -171.46 32.59 Favored Glycine 0 N--CA 1.434 -1.445 0 C-N-CA 119.402 -1.38 . . . . 0.0 112.942 -177.148 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -110.18 148.48 31.73 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.642 -0.279 . . . . 0.0 111.471 -178.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.572 ' CG ' HD12 ' A' ' 22' ' ' LEU . 81.4 t80 -86.81 117.92 25.86 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 176.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -90.79 -55.93 3.38 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.576 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 pm0 -172.32 168.67 5.53 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.165 0.507 . . . . 0.0 111.672 -177.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.403 ' HG ' ' HH2' ' A' ' 70' ' ' TRP . 16.3 m -125.67 150.05 47.95 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.824 178.32 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.416 ' O ' HG22 ' A' ' 52' ' ' VAL . 32.8 m-80 -85.58 105.43 16.16 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 123.268 0.355 . . . . 0.0 110.28 -178.306 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 46.69 -106.73 0.14 Allowed 'General case' 0 C--N 1.321 -0.632 0 O-C-N 123.848 0.717 . . . . 0.0 112.233 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -142.66 44.2 0.99 Allowed Glycine 0 N--CA 1.44 -1.044 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.294 177.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.726 ' HB ' ' HD2' ' A' ' 53' ' ' PRO . 16.2 m -116.47 174.88 2.19 Favored Pre-proline 0 C--O 1.215 -0.737 0 O-C-N 122.689 -0.301 . . . . 0.0 110.943 -178.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.726 ' HD2' ' HB ' ' A' ' 52' ' ' VAL . 33.0 Cg_exo -52.58 -50.27 14.61 Favored 'Trans proline' 0 C--N 1.356 0.967 0 C-N-CA 123.053 2.502 . . . . 0.0 114.923 178.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.519 ' HG2' HG23 ' A' ' 52' ' ' VAL . 9.5 Cg_endo -55.17 119.98 7.42 Favored 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 121.361 1.374 . . . . 0.0 113.657 -177.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.681 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 9.5 p -127.32 133.37 68.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 114.884 -1.053 . . . . 0.0 108.82 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -99.84 108.88 21.26 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-O 121.488 0.661 . . . . 0.0 110.222 -170.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.453 HG21 HD22 ' A' ' 73' ' ' LEU . 62.2 t -122.83 138.38 53.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.119 -177.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.441 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 43.6 t80 -97.77 120.77 38.75 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.436 0.636 . . . . 0.0 109.468 177.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.416 ' HZ2' HG21 ' A' ' 68' ' ' VAL . 95.9 m95 -100.96 127.99 47.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.41 -176.154 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.482 ' HG2' ' HA2' ' A' ' 43' ' ' GLY . 8.6 mm-40 -70.33 -40.25 74.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.893 -170.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.8 m -67.27 -39.55 86.07 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 121.684 0.754 . . . . 0.0 111.246 -175.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.4 m -83.3 -31.25 26.98 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.598 177.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.468 ' C ' ' HD2' ' A' ' 64' ' ' ARG . . . 72.2 24.09 76.95 Favored Glycine 0 CA--C 1.524 0.643 0 O-C-N 124.426 1.079 . . . . 0.0 112.284 179.401 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.468 ' HD2' ' C ' ' A' ' 63' ' ' GLY . 8.6 mpt_? -131.8 149.23 52.53 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 115.045 -0.578 . . . . 0.0 109.88 -179.107 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.441 ' HA ' ' HA ' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -81.71 143.87 31.55 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 174.194 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -147.55 147.42 30.09 Favored 'General case' 0 N--CA 1.437 -1.078 0 N-CA-C 110.491 -0.189 . . . . 0.0 110.491 -174.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.681 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -96.77 114.97 26.65 Favored 'General case' 0 C--O 1.241 0.635 0 O-C-N 124.421 1.076 . . . . 0.0 109.808 177.551 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.564 HG12 ' HB2' ' A' ' 72' ' ' MET . 3.1 t -105.41 169.17 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.86 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -174.095 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -88.49 136.97 32.73 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 168.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.411 ' HH2' HH21 ' A' ' 19' ' ' ARG . 97.5 m95 -44.75 -49.49 10.57 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -172.5 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -73.67 2.63 7.74 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.695 -174.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.564 ' HB2' HG12 ' A' ' 68' ' ' VAL . 90.4 mmm -92.24 -18.61 23.18 Favored 'General case' 0 CA--C 1.516 -0.345 0 O-C-N 121.895 -0.503 . . . . 0.0 110.963 -179.032 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.453 HD22 HG21 ' A' ' 57' ' ' VAL . 3.6 pp -115.29 133.79 55.71 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.554 0.693 . . . . 0.0 110.898 -176.571 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.437 ' OE1' ' HB3' ' A' ' 4' ' ' MET . 27.6 tt0 -120.06 108.13 13.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.255 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.601 HG22 HG12 ' A' ' 28' ' ' VAL . 12.4 pt -49.94 132.07 9.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 178.29 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 15.1 tp -103.81 -31.23 9.91 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 114.55 -1.204 . . . . 0.0 108.015 175.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.497 ' HA2' ' SD ' ' A' ' 26' ' ' MET . . . 54.35 -147.66 22.31 Favored Glycine 0 C--N 1.336 0.545 0 CA-C-N 115.698 -0.683 . . . . 0.0 113.54 173.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 99.9 m-85 -89.72 18.9 5.08 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 176.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -89.65 8.47 31.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.757 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.394 177.598 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.647 ' HB2' ' HB2' ' A' ' 7' ' ' GLU . 74.5 mtm . . . . . 0 C--O 1.237 0.399 0 CA-C-O 121.529 0.68 . . . . 0.0 110.207 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.441 HH12 ' HB2' ' A' ' 32' ' ' ASP . 24.5 ptt180 -65.46 -32.49 74.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.826 0.822 . . . . 0.0 111.078 176.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.2 m -91.39 12.77 19.46 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.013 -178.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.647 ' HB2' ' HB2' ' A' ' 4' ' ' MET . 8.4 tt0 -77.6 -24.0 49.76 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.243 0.544 . . . . 0.0 109.667 176.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -73.54 173.36 9.79 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.765 -178.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.86 -46.11 89.43 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.316 -174.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 60.5 m -115.65 -11.12 11.73 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 121.016 0.436 . . . . 0.0 111.294 179.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.61 -35.3 2.67 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.516 -0.849 . . . . 0.0 111.545 -176.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -58.88 -25.45 63.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.708 0.766 . . . . 0.0 110.818 175.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -52.74 -35.53 56.2 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.183 174.385 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -64.08 -50.05 69.86 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.273 178.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.417 ' HB1' ' HB2' ' A' ' 70' ' ' TRP . . . -57.57 -33.02 67.73 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.919 176.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.1 tp -73.33 -41.06 63.94 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -59.21 -53.37 59.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.881 178.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.2 m -62.43 -37.96 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 O-C-N 123.826 0.704 . . . . 0.0 111.831 -179.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.451 ' HA ' ' CZ3' ' A' ' 70' ' ' TRP . 37.0 ttm180 -52.62 -51.79 58.41 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-O 121.107 0.48 . . . . 0.0 111.838 177.495 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -79.32 -26.7 42.14 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -174.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.9 p -82.36 -36.13 27.13 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -176.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.416 ' HG ' HG22 ' A' ' 75' ' ' ILE . 31.8 mt -82.59 103.5 12.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 122.478 1.132 . . . . 0.0 112.665 -179.206 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.479 ' HB2' ' SD ' ' A' ' 26' ' ' MET . 0.5 OUTLIER -89.81 156.87 46.96 Favored Pre-proline 0 N--CA 1.448 -0.537 0 CA-C-N 114.165 -1.38 . . . . 0.0 110.463 172.147 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.79 122.45 11.02 Favored 'Trans proline' 0 C--O 1.237 0.46 0 C-N-CA 122.113 1.875 . . . . 0.0 111.887 175.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.82 -11.03 49.29 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.127 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.535 ' HE3' ' HA2' ' A' ' 77' ' ' GLY . 88.8 mtp -84.12 138.62 32.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.287 0.565 . . . . 0.0 110.791 178.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 -82.29 149.01 28.02 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 122.196 0.998 . . . . 0.0 111.842 -175.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.406 HG21 HG11 ' A' ' 57' ' ' VAL . 34.9 m -131.05 158.4 43.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 114.321 -1.309 . . . . 0.0 111.054 -171.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.458 ' HB3' ' HB3' ' A' ' 74' ' ' GLU . 43.8 ttm180 -124.26 136.54 54.21 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.573 174.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.515 ' HG2' HG22 ' A' ' 37' ' ' ILE . 11.8 tpt -79.21 108.75 12.95 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.335 0.588 . . . . 0.0 110.161 177.426 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.509 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 25.2 tp -90.93 -6.54 53.96 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.06 -0.973 . . . . 0.0 111.618 -173.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.588 ' HB3' ' HB2' ' A' ' 72' ' ' MET . 14.8 t70 -138.38 150.61 46.71 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 -178.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.461 ' HA ' ' HA ' ' A' ' 38' ' ' SER . 5.9 p-10 -86.36 126.8 34.61 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 175.576 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -151.33 99.66 2.67 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.575 0.702 . . . . 0.0 110.561 -172.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 59.46 -112.07 0.57 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-N 114.83 -1.077 . . . . 0.0 111.816 175.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -72.08 -25.96 61.97 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 122.424 0.29 . . . . 0.0 111.648 -175.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.515 HG22 ' HG2' ' A' ' 30' ' ' MET . 16.7 mm -106.92 151.45 8.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -174.218 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.461 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 34.4 m -132.9 162.65 31.04 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -177.36 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.64 127.78 33.34 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 121.358 0.599 . . . . 0.0 111.245 -178.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.75 -17.7 38.56 Favored Glycine 0 N--CA 1.442 -0.941 0 CA-C-N 115.175 -0.92 . . . . 0.0 112.971 -178.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -64.31 139.85 58.81 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 172.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -128.17 155.31 44.67 Favored 'General case' 0 CA--C 1.513 -0.446 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.829 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.538 ' HA2' ' HG3' ' A' ' 60' ' ' GLU . . . -163.33 -168.52 25.43 Favored Glycine 0 N--CA 1.431 -1.659 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.551 -173.338 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -119.88 147.27 44.91 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 121.114 0.483 . . . . 0.0 109.765 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.8 ' HZ ' ' HB3' ' A' ' 48' ' ' SER . 47.4 t80 -86.26 114.13 22.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.595 -179.05 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 46' ' ' ARG . 3.8 mmp_? -88.55 -57.81 2.78 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.914 0.388 . . . . 0.0 111.262 -177.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -153.59 155.44 36.12 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.517 0.675 . . . . 0.0 109.735 -174.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.8 ' HB3' ' HZ ' ' A' ' 45' ' ' PHE . 9.3 p -125.63 154.29 42.52 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.219 178.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.48 153.98 25.34 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 168.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -76.44 -23.85 53.93 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -168.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -156.05 3.85 0.19 Allowed Glycine 0 N--CA 1.439 -1.135 0 C-N-CA 119.322 -1.418 . . . . 0.0 114.468 -177.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.474 ' HB ' ' HD2' ' A' ' 53' ' ' PRO . 15.8 m -116.48 158.04 44.23 Favored Pre-proline 0 C--O 1.241 0.639 0 CA-C-N 117.755 0.777 . . . . 0.0 111.485 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.574 ' HA ' ' HD1' ' A' ' 70' ' ' TRP . 4.5 Cg_endo -50.43 -42.59 47.97 Favored 'Trans proline' 0 CA--C 1.549 1.274 0 C-N-CA 123.945 3.097 . . . . 0.0 116.543 -177.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 10.3 Cg_endo -55.72 126.34 22.11 Favored 'Trans proline' 0 C--N 1.367 1.543 0 C-N-CA 121.888 1.725 . . . . 0.0 113.728 -177.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.935 HG11 HD11 ' A' ' 73' ' ' LEU . 13.6 p -130.34 140.65 48.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.247 177.673 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.407 ' HG2' ' HB2' ' A' ' 46' ' ' ARG . 55.3 tt0 -93.47 107.46 19.3 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -177.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.406 HG11 HG21 ' A' ' 28' ' ' VAL . 95.1 t -123.24 132.82 70.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 121.306 0.574 . . . . 0.0 110.391 -178.044 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.467 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 89.6 t80 -90.65 112.77 24.63 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 175.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.418 ' HZ2' HG21 ' A' ' 68' ' ' VAL . 98.2 m95 -91.04 118.38 30.35 Favored 'General case' 0 C--O 1.214 -0.783 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.238 -178.158 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.538 ' HG3' ' HA2' ' A' ' 43' ' ' GLY . 42.2 mt-10 -70.64 -35.9 73.15 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.059 -172.506 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.8 p -63.07 -39.24 94.14 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.116 0.484 . . . . 0.0 111.292 -178.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.4 m -86.75 -39.64 15.77 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-O 121.391 0.615 . . . . 0.0 109.828 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.27 25.32 16.75 Favored Glycine 0 N--CA 1.44 -1.045 0 CA-C-N 114.96 -1.018 . . . . 0.0 112.41 177.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.0 ptp85 -151.48 165.25 34.77 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 122.348 -0.501 . . . . 0.0 109.886 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.467 ' HA ' ' HA ' ' A' ' 58' ' ' PHE . 6.4 m -91.35 149.61 21.66 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.094 0.473 . . . . 0.0 110.631 -177.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -148.99 145.9 27.54 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.594 -177.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.581 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 20.5 m-90 -94.73 114.76 26.71 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.466 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.491 HG12 ' H ' ' A' ' 69' ' ' HIS . 2.7 t -110.39 175.99 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.223 -176.179 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.491 ' H ' HG12 ' A' ' 68' ' ' VAL . 33.7 m-70 -108.31 146.83 32.35 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 174.032 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.574 ' HD1' ' HA ' ' A' ' 53' ' ' PRO . 92.5 m95 -55.92 -40.74 73.53 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -173.013 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -68.39 -7.87 35.31 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 -170.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.588 ' HB2' ' HB3' ' A' ' 32' ' ' ASP . 16.4 ptp -114.9 16.07 17.27 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 120.873 0.368 . . . . 0.0 111.326 178.639 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.935 HD11 HG11 ' A' ' 55' ' ' VAL . 92.3 mt -101.22 128.67 47.23 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-O 121.092 0.472 . . . . 0.0 112.077 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.509 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . 8.5 tp10 -107.01 134.92 49.44 Favored 'General case' 0 N--CA 1.437 -1.115 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 173.327 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.416 HG22 ' HG ' ' A' ' 22' ' ' LEU . 25.9 pt -96.04 134.56 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.917 0 CA-C-O 121.464 0.649 . . . . 0.0 111.445 -173.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.0 mt -114.03 1.31 14.61 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.868 178.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.535 ' HA2' ' HE3' ' A' ' 26' ' ' MET . . . 65.78 -117.13 9.41 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 119.969 -1.11 . . . . 0.0 111.702 -175.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -107.97 -38.52 5.79 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 172.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 57.73 19.47 5.6 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.003 173.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 . . . . . 0 C--N 1.327 -0.386 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 -178.371 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 90.1 mtp . . . . . 0 N--CA 1.442 -0.836 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -55.54 -34.31 64.59 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -173.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 m -81.04 12.17 3.55 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -178.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -58.41 -47.89 82.44 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.782 0.801 . . . . 0.0 110.183 178.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -81.9 161.35 23.15 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.192 175.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.8 -32.12 72.39 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.736 -174.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.1 m -105.67 -25.18 12.35 Favored 'General case' 0 C--N 1.314 -0.959 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.914 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.62 -45.8 3.33 Favored Glycine 0 CA--C 1.517 0.183 0 C-N-CA 120.632 -0.794 . . . . 0.0 111.549 -176.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -56.84 -22.05 33.69 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.54 0.686 . . . . 0.0 110.593 172.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.5 m -50.95 -30.28 14.47 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.548 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -59.97 -55.82 29.29 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 174.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.97 -32.24 69.47 Favored 'General case' 0 N--CA 1.453 -0.275 0 O-C-N 124.766 1.291 . . . . 0.0 111.926 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.9 tp -73.33 -42.96 61.68 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 121.842 0.83 . . . . 0.0 110.621 -177.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -64.07 -54.32 35.92 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 114.819 -1.082 . . . . 0.0 111.656 176.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.526 ' O ' ' HB3' ' A' ' 22' ' ' LEU . 35.0 m -60.97 -43.62 96.39 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.809 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.687 -176.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.499 ' HB2' ' CZ3' ' A' ' 70' ' ' TRP . 76.2 ttt180 -56.93 -30.45 64.01 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 118.46 0.573 . . . . 0.0 112.365 178.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -80.82 -53.23 6.66 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.4 -177.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.7 m -86.55 -38.86 16.76 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -172.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.879 HD13 HG12 ' A' ' 75' ' ' ILE . 58.1 tp -72.56 96.62 1.98 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.761 0.791 . . . . 0.0 110.656 -175.025 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -82.54 153.73 68.25 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.845 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -56.35 116.17 2.99 Favored 'Trans proline' 0 CA--C 1.532 0.385 0 C-N-CA 123.091 2.528 . . . . 0.0 111.396 173.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.08 -13.8 16.58 Favored Glycine 0 N--CA 1.439 -1.113 0 C-N-CA 120.881 -0.675 . . . . 0.0 111.783 -175.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.483 ' HB2' HD12 ' A' ' 22' ' ' LEU . 47.4 mtt -79.31 141.17 37.24 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.415 0.626 . . . . 0.0 110.318 176.238 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.497 ' O ' ' HB2' ' A' ' 76' ' ' LEU . 44.5 ttt180 -79.75 147.22 31.96 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.709 -178.084 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.5 m -129.03 157.07 41.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.986 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.456 ' HB2' HD21 ' A' ' 76' ' ' LEU . 39.5 ttm180 -126.68 132.47 51.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.157 -178.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.544 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 14.8 tpt -87.16 128.42 35.13 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.752 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.454 HD23 ' HG2' ' A' ' 74' ' ' GLU . 0.4 OUTLIER -115.18 14.57 16.99 Favored 'General case' 0 C--N 1.311 -1.074 0 C-N-CA 120.509 -0.476 . . . . 0.0 111.396 -179.854 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.404 ' H ' ' HG3' ' A' ' 30' ' ' MET . 35.3 t70 -140.1 156.28 46.64 Favored 'General case' 0 C--O 1.248 0.999 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.142 -178.389 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -95.51 123.42 39.04 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -159.2 102.71 1.61 Allowed 'General case' 0 C--O 1.235 0.338 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -175.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 73.53 -26.22 0.19 Allowed 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 159.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -175.53 -38.5 0.01 OUTLIER 'General case' 0 C--N 1.311 -1.093 0 CA-C-O 121.354 0.597 . . . . 0.0 109.699 -169.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.464 HG22 ' HG2' ' A' ' 30' ' ' MET . 15.9 mm -95.54 146.72 6.61 Favored 'Isoleucine or valine' 0 C--O 1.245 0.838 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.253 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.9 m -123.72 167.29 14.21 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.923 0.392 . . . . 0.0 110.308 -176.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.03 125.95 27.95 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.264 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.2 -16.49 42.04 Favored Glycine 0 C--O 1.225 -0.463 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.08 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -73.98 153.05 39.9 Favored 'General case' 0 C--O 1.213 -0.867 0 CA-C-O 121.209 0.528 . . . . 0.0 109.798 176.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.504 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 41.8 mt-10 -131.65 161.48 32.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.645 -177.497 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -162.68 -171.6 29.08 Favored Glycine 0 N--CA 1.453 -0.205 0 CA-C-N 114.854 -1.067 . . . . 0.0 111.528 178.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -116.02 142.12 47.21 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 117.004 0.402 . . . . 0.0 110.409 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -88.3 124.34 33.8 Favored 'General case' 0 C--N 1.315 -0.932 0 O-C-N 124.011 0.82 . . . . 0.0 110.635 -178.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.425 ' CD ' ' HB2' ' A' ' 58' ' ' PHE . 17.2 mtp180 -106.51 -55.05 2.38 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -148.21 152.8 37.84 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.423 -0.511 . . . . 0.0 112.076 -169.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.501 ' HB3' ' CH2' ' A' ' 70' ' ' TRP . 42.5 m -126.72 155.0 43.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.853 172.27 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -84.2 179.38 7.49 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 175.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -62.01 -62.74 1.57 Allowed 'General case' 0 CA--C 1.53 0.185 0 O-C-N 123.433 0.458 . . . . 0.0 111.112 -174.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -153.62 29.36 0.76 Allowed Glycine 0 C--O 1.241 0.546 0 C-N-CA 119.509 -1.329 . . . . 0.0 112.979 -176.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.464 ' HB ' ' HD2' ' A' ' 53' ' ' PRO . 15.6 m -107.37 162.15 20.71 Favored Pre-proline 0 N--CA 1.451 -0.425 0 CA-C-N 117.268 0.534 . . . . 0.0 111.372 178.001 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.464 ' HD2' ' HB ' ' A' ' 52' ' ' VAL . 31.3 Cg_exo -52.05 -44.96 42.0 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.87 2.38 . . . . 0.0 115.068 179.112 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -54.7 130.49 40.63 Favored 'Trans proline' 0 CA--C 1.546 1.106 0 C-N-CA 121.932 1.754 . . . . 0.0 113.675 -178.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.607 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 14.9 p -130.65 136.84 57.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.053 -0.976 . . . . 0.0 108.968 173.294 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -98.0 109.35 22.12 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.569 0.7 . . . . 0.0 110.724 -171.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 96.9 t -121.05 138.68 50.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.428 -177.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.425 ' HB2' ' CD ' ' A' ' 46' ' ' ARG . 88.7 t80 -92.72 109.63 21.06 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 176.524 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.544 ' CH2' ' HB2' ' A' ' 30' ' ' MET . 99.8 m95 -89.37 117.28 28.19 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 -176.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 10.7 pt-20 -72.33 -19.62 61.62 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.003 -0.998 . . . . 0.0 110.015 -176.15 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.5 t -67.59 -45.77 74.53 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.47 178.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.5 m -93.85 -25.86 17.16 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.738 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.71 28.06 55.66 Favored Glycine 0 N--CA 1.437 -1.239 0 N-CA-C 111.975 -0.45 . . . . 0.0 111.975 -176.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -136.0 156.23 49.05 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.375 -0.413 . . . . 0.0 111.613 -175.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 p -83.49 136.06 34.43 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 121.435 0.636 . . . . 0.0 109.573 171.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.437 ' HB3' ' CD1' ' A' ' 59' ' ' TRP . 44.3 t80 -141.56 147.12 37.18 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.582 -175.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.607 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 32.6 m-90 -98.29 115.5 28.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 123.545 0.528 . . . . 0.0 110.288 176.635 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.532 ' O ' HG12 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -114.48 -178.41 1.07 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.701 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -177.743 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.666 ' O ' ' HG2' ' A' ' 72' ' ' MET . 27.8 m170 -98.43 136.43 38.58 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 120.27 -0.572 . . . . 0.0 109.981 172.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.501 ' CH2' ' HB3' ' A' ' 48' ' ' SER . 25.9 m95 -45.25 -51.85 10.29 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.384 0.674 . . . . 0.0 112.57 178.6 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 27.7 p80 -72.27 -6.21 41.44 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -170.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.666 ' HG2' ' O ' ' A' ' 69' ' ' HIS . 15.5 ptm -107.71 19.45 20.12 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 121.623 -0.673 . . . . 0.0 110.99 -176.05 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 70' ' ' TRP . 4.2 pp -136.29 154.76 50.79 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 120.437 -0.505 . . . . 0.0 111.332 178.006 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.454 ' HG2' HD23 ' A' ' 31' ' ' LEU . 4.5 mm-40 -101.66 140.33 36.09 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.953 178.444 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.879 HG12 HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -94.77 121.12 45.08 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 CA-C-O 122.074 0.94 . . . . 0.0 109.925 178.793 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.497 ' HB2' ' O ' ' A' ' 27' ' ' ARG . 4.4 mm? -95.48 -56.01 2.84 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.241 177.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.422 ' HA2' ' SD ' ' A' ' 26' ' ' MET . . . 86.96 -120.97 5.63 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.046 -1.074 . . . . 0.0 111.816 -177.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -138.25 -94.22 0.19 Allowed 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 123.382 0.673 . . . . 0.0 110.224 176.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 65.75 -63.46 0.22 Allowed 'General case' 0 C--N 1.35 0.608 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 175.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 . . . . . 0 N--CA 1.452 -0.374 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.509 179.186 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 88.3 mtp . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.542 ' H ' ' HD2' ' A' ' 5' ' ' ARG . 4.3 mpt_? -65.26 -28.69 69.52 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.696 0.76 . . . . 0.0 109.708 174.365 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -71.1 13.58 0.2 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.844 0.858 . . . . 0.0 112.075 -177.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -72.73 18.42 0.1 Allowed 'General case' 0 C--O 1.238 0.465 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -177.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -58.72 -178.18 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.868 0.366 . . . . 0.0 111.308 176.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -46.7 -47.39 20.44 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -175.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.2 t -132.57 9.92 4.34 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 174.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.17 8.54 79.35 Favored Glycine 0 N--CA 1.441 -1.022 0 C-N-CA 120.541 -0.837 . . . . 0.0 111.768 -174.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -68.86 -43.39 75.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 119.201 -0.428 . . . . 0.0 111.67 -172.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.3 m -51.3 -42.41 61.16 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 118.461 0.573 . . . . 0.0 111.513 177.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.478 ' OH ' HD11 ' A' ' 31' ' ' LEU . 36.5 t80 -66.79 -49.17 66.72 Favored 'General case' 0 C--O 1.245 0.816 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.307 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.717 ' O ' ' HG3' ' A' ' 19' ' ' ARG . . . -55.0 -38.96 68.55 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.852 0.72 . . . . 0.0 112.059 175.514 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.4 tp -66.76 -46.3 75.83 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 121.61 0.719 . . . . 0.0 110.595 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -58.76 -53.94 52.65 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.702 -1.135 . . . . 0.0 110.733 -178.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.0 m -60.75 -42.27 91.52 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 CA-C-N 115.756 -0.657 . . . . 0.0 112.378 -174.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.717 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 47.9 mtm180 -55.35 -41.68 72.83 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 121.266 0.555 . . . . 0.0 111.836 179.2 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -83.57 -45.11 13.9 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.57 -175.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.3 m -81.32 -33.56 32.43 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -172.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.796 HD11 HG12 ' A' ' 28' ' ' VAL . 2.3 tt -95.26 95.46 8.52 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.612 0.72 . . . . 0.0 109.457 -175.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -91.72 158.3 40.39 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.559 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -51.06 123.22 11.4 Favored 'Trans proline' 0 C--O 1.24 0.614 0 C-N-CA 123.0 2.466 . . . . 0.0 111.57 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.79 -27.1 8.06 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.129 -176.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.645 ' SD ' ' HA2' ' A' ' 77' ' ' GLY . 16.3 mmt -73.21 137.79 45.23 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 178.39 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.551 ' HG3' ' O ' ' A' ' 43' ' ' GLY . 36.1 ttm180 -75.37 147.53 39.96 Favored 'General case' 0 C--O 1.242 0.696 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.861 173.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.796 HG12 HD11 ' A' ' 22' ' ' LEU . 20.9 m -122.79 156.18 28.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 O-C-N 123.424 0.452 . . . . 0.0 110.155 -176.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -126.31 139.88 52.96 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.334 0.588 . . . . 0.0 110.09 170.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 12.9 tpt -84.95 122.83 29.76 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.053 -177.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.763 HD21 ' HB2' ' A' ' 74' ' ' GLU . 75.9 mt -79.32 -39.47 32.73 Favored 'General case' 0 C--O 1.243 0.712 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -175.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -129.36 159.85 34.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.51 -173.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.437 ' HA ' ' HA ' ' A' ' 38' ' ' SER . 12.0 m-20 -78.78 125.24 29.1 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -151.05 100.87 2.83 Favored 'General case' 0 C--N 1.311 -1.068 0 C-N-CA 119.722 -0.791 . . . . 0.0 112.317 -169.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 69.27 -26.11 0.15 Allowed 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 163.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -167.48 -40.13 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.449 0.642 . . . . 0.0 109.856 -169.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 29.5 mm -101.66 153.17 5.13 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.206 0 CA-C-N 113.908 -1.496 . . . . 0.0 108.534 -175.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.437 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 0.4 OUTLIER -121.07 164.36 16.92 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.298 -177.328 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.93 130.37 44.47 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.92 -17.15 42.2 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 120.238 -0.982 . . . . 0.0 112.505 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -71.96 155.25 40.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.499 0.666 . . . . 0.0 110.391 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -137.36 160.05 40.2 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.348 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.551 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -162.27 -170.72 27.45 Favored Glycine 0 N--CA 1.443 -0.877 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.382 -177.473 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -119.88 140.85 50.2 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 117.697 0.749 . . . . 0.0 109.925 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.482 ' CD2' HD22 ' A' ' 22' ' ' LEU . 5.8 t80 -86.62 121.81 29.65 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -175.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 42.2 mtp85 -104.92 -57.07 2.08 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 120.416 -0.514 . . . . 0.0 111.462 -178.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -147.41 150.03 33.88 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.452 0.644 . . . . 0.0 111.237 -168.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 53.0 p -117.23 128.58 55.23 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 171.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.408 ' O ' HG22 ' A' ' 52' ' ' VAL . 95.0 m-20 -83.01 106.02 14.48 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.534 -0.467 . . . . 0.0 111.275 -169.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 72.66 -39.6 0.45 Allowed 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.832 171.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 126.64 58.04 0.14 Allowed Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 119.934 -1.127 . . . . 0.0 111.297 -175.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.631 ' HB ' ' HD2' ' A' ' 53' ' ' PRO . 3.9 m -151.8 167.14 13.72 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -175.405 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.699 ' HA ' ' HD1' ' A' ' 70' ' ' TRP . 3.7 Cg_exo -40.33 -48.97 4.05 Favored 'Trans proline' 0 CA--C 1.548 1.18 0 C-N-CA 124.024 3.15 . . . . 0.0 115.707 178.693 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.597 ' HG2' HG23 ' A' ' 52' ' ' VAL . 15.4 Cg_endo -60.3 126.88 21.25 Favored 'Trans proline' 0 C--N 1.361 1.207 0 C-N-CA 121.592 1.528 . . . . 0.0 113.045 177.593 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.597 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 7.6 p -130.64 141.05 47.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.936 -176.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.558 ' OE1' ' HB ' ' A' ' 65' ' ' THR . 6.1 tp-100 -95.91 107.98 20.3 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 120.934 0.397 . . . . 0.0 110.089 -177.051 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.408 HG11 HG21 ' A' ' 28' ' ' VAL . 95.1 t -121.37 133.22 68.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.908 -177.103 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -89.26 118.14 28.74 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 174.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -91.07 112.77 24.81 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.306 -176.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.469 ' H ' ' HA2' ' A' ' 43' ' ' GLY . 34.5 mt-10 -68.7 -36.99 79.19 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.336 0.588 . . . . 0.0 110.735 -176.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.5 t -61.43 -39.32 90.38 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.658 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.9 m -90.07 -54.58 3.97 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 121.239 0.543 . . . . 0.0 111.517 -178.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.37 20.83 6.82 Favored Glycine 0 N--CA 1.441 -1.007 0 CA-C-N 115.195 -0.912 . . . . 0.0 112.265 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -141.66 160.96 39.09 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.36 0.6 . . . . 0.0 110.299 -178.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.558 ' HB ' ' OE1' ' A' ' 56' ' ' GLN . 12.3 p -86.56 156.59 20.0 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.196 171.126 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -159.12 146.47 17.35 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.597 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 13.3 m-90 -89.5 114.61 26.15 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 177.156 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.586 HG12 ' H ' ' A' ' 69' ' ' HIS . 1.4 t -111.87 -155.02 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.966 -174.667 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.586 ' H ' HG12 ' A' ' 68' ' ' VAL . 61.2 m-70 -138.8 135.33 34.51 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 -172.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.699 ' HD1' ' HA ' ' A' ' 53' ' ' PRO . 96.9 m95 -51.54 -48.67 62.96 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -179.304 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -70.89 -0.04 8.32 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -171.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 16.5 ptp -122.31 14.61 10.46 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.079 0.854 . . . . 0.0 112.925 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.0 mt -112.3 134.67 53.71 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-O 120.617 0.246 . . . . 0.0 110.612 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.763 ' HB2' HD21 ' A' ' 31' ' ' LEU . 77.7 tt0 -94.12 130.43 40.31 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 176.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.521 HG12 ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -78.6 118.16 25.33 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 CA-C-O 121.486 0.66 . . . . 0.0 109.427 176.585 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 24.1 tp -108.73 -53.92 2.58 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.404 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.645 ' HA2' ' SD ' ' A' ' 26' ' ' MET . . . 102.05 -135.29 12.15 Favored Glycine 0 CA--C 1.503 -0.698 0 C-N-CA 120.631 -0.795 . . . . 0.0 111.6 179.137 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -166.65 -36.69 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 177.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.484 ' CD ' ' H ' ' A' ' 79' ' ' GLU . 1.7 mp0 -65.6 -37.17 85.86 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.527 0.68 . . . . 0.0 109.394 178.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 . . . . . 0 C--N 1.317 -0.821 0 O-C-N 122.051 -0.405 . . . . 0.0 111.505 -176.815 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.444 -0.752 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 71' ' ' HIS . 19.2 tpt180 -56.51 -27.63 57.84 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 123.767 0.667 . . . . 0.0 111.794 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 m -79.83 12.76 2.48 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 116.242 -0.436 . . . . 0.0 112.092 -177.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -74.72 7.27 3.18 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -71.77 177.36 4.23 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 119.476 -0.297 . . . . 0.0 111.116 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -46.95 -48.5 21.48 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 124.127 0.892 . . . . 0.0 112.984 -169.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.7 t -128.57 18.31 6.32 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-O 121.187 0.518 . . . . 0.0 110.022 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.49 -59.95 2.42 Favored Glycine 0 C--N 1.336 0.528 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.282 -178.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -62.37 -25.54 67.97 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 122.469 0.307 . . . . 0.0 111.056 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 m -51.2 -31.88 21.86 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 121.137 0.494 . . . . 0.0 112.082 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.481 ' CD2' ' HA ' ' A' ' 71' ' ' HIS . 61.5 t80 -66.2 -50.11 64.99 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.11 179.166 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.67 -32.75 69.4 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.99 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.0 tp -73.59 -46.25 48.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.634 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -59.29 -53.05 62.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.774 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.5 m -61.59 -40.35 86.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.56 177.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.6 ttt180 -57.76 -47.16 83.27 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.387 0.613 . . . . 0.0 111.945 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -74.73 -20.47 59.82 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.252 -0.885 . . . . 0.0 112.18 -175.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 m -99.78 -29.6 12.53 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.63 0.729 . . . . 0.0 111.468 -176.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.436 HD13 HG13 ' A' ' 75' ' ' ILE . 32.6 tp -79.03 105.86 10.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.547 -176.27 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -86.14 151.07 53.69 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.195 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -55.68 126.26 21.87 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 122.752 2.301 . . . . 0.0 111.522 176.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.78 -17.67 38.52 Favored Glycine 0 C--N 1.314 -0.693 0 O-C-N 124.063 0.852 . . . . 0.0 112.613 -177.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 41.9 mtt -71.04 144.95 50.21 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.077 0.465 . . . . 0.0 111.096 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -83.79 143.02 30.24 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.081 176.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.3 m -126.98 158.91 37.63 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.729 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 29' ' ' ARG . 27.7 ttp180 -129.47 136.87 50.43 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-O 121.068 0.461 . . . . 0.0 112.094 173.378 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.464 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . 10.3 tpt -71.74 130.97 42.42 Favored 'General case' 0 CA--C 1.5 -0.967 0 CA-C-N 115.006 -0.997 . . . . 0.0 108.994 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.7 tp -113.37 -20.98 11.13 Favored 'General case' 0 N--CA 1.435 -1.186 0 O-C-N 124.341 1.026 . . . . 0.0 109.978 -171.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.551 ' HB3' ' HB2' ' A' ' 72' ' ' MET . 27.8 t70 -114.16 150.04 34.79 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.052 178.458 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -95.19 144.15 26.03 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.164 0.507 . . . . 0.0 110.396 -177.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -158.67 155.5 28.25 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.31 -174.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.413 ' CD ' ' H ' ' A' ' 35' ' ' GLU . 2.6 mp0 -48.17 -42.42 29.62 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 179.688 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.442 ' HG3' ' CE1' ' A' ' 66' ' ' TYR . 39.0 mm-40 -77.07 -62.15 1.75 Allowed 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 120.861 0.362 . . . . 0.0 111.549 -178.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 32.4 mm -116.78 149.96 18.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.45 -175.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.6 m -122.75 151.54 41.5 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -172.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.17 135.47 57.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.091 0.472 . . . . 0.0 110.745 -176.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.16 -18.51 45.56 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.388 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -68.67 139.25 55.43 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 177.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.659 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 48.1 mt-10 -112.43 148.28 34.69 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.177 -178.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -152.28 176.87 30.37 Favored Glycine 0 CA--C 1.495 -1.193 0 C-N-CA 119.694 -1.241 . . . . 0.0 112.59 -177.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -108.26 143.32 37.26 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -89.72 115.27 26.95 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 175.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -100.12 -53.8 3.05 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 123.718 0.636 . . . . 0.0 110.684 -176.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.5 ' O ' ' HB3' ' A' ' 56' ' ' GLN . 5.0 pp0? -170.99 165.14 7.6 Favored 'General case' 0 C--N 1.316 -0.882 0 O-C-N 124.382 1.051 . . . . 0.0 109.397 -178.25 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.544 ' OG ' HG23 ' A' ' 55' ' ' VAL . 53.0 m -153.98 -176.86 6.05 Favored 'General case' 0 CA--C 1.508 -0.645 0 O-C-N 121.356 -0.84 . . . . 0.0 111.615 178.463 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -88.25 107.72 18.94 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 106.039 -1.837 . . . . 0.0 106.039 172.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -76.37 69.41 2.85 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.87 -163.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 163.27 -2.39 0.06 OUTLIER Glycine 0 CA--C 1.528 0.875 0 CA-C-N 115.586 -0.734 . . . . 0.0 113.655 174.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.748 ' HB ' ' HD2' ' A' ' 53' ' ' PRO . 10.7 m -135.37 166.66 27.14 Favored Pre-proline 0 C--O 1.238 0.494 0 O-C-N 122.355 -0.497 . . . . 0.0 111.332 -179.1 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.748 ' HD2' ' HB ' ' A' ' 52' ' ' VAL . 6.4 Cg_endo -48.24 -43.82 30.55 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 124.225 3.283 . . . . 0.0 117.119 -178.178 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 12.4 Cg_endo -55.42 116.4 3.12 Favored 'Trans proline' 0 C--N 1.367 1.52 0 C-N-CA 121.779 1.653 . . . . 0.0 113.643 -176.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.544 HG23 ' OG ' ' A' ' 48' ' ' SER . 7.7 p -119.57 128.28 75.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.693 174.527 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.5 ' HB3' ' O ' ' A' ' 47' ' ' GLN . 6.4 tp60 -95.02 110.63 22.52 Favored 'General case' 0 C--O 1.24 0.565 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -176.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.407 HG21 HD21 ' A' ' 73' ' ' LEU . 94.6 t -123.74 140.93 45.73 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.11 -173.424 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -94.87 110.39 22.28 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 174.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.464 ' CZ3' ' HB2' ' A' ' 30' ' ' MET . 89.4 m95 -94.71 125.65 39.51 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.777 -175.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.659 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 11.7 pt-20 -71.14 -44.13 66.17 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -171.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.5 m -63.76 -41.52 97.98 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.836 0.827 . . . . 0.0 111.349 -175.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.8 m -81.84 -23.04 36.65 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 122.24 1.019 . . . . 0.0 109.853 176.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 61.27 33.93 86.27 Favored Glycine 0 CA--C 1.51 -0.276 0 CA-C-N 114.898 -1.046 . . . . 0.0 111.729 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 64' ' ' ARG . 21.8 mtp85 -139.02 151.44 46.81 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 123.541 0.736 . . . . 0.0 111.194 -177.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.7 p -84.27 144.47 28.88 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.612 0.72 . . . . 0.0 110.134 171.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.442 ' CE1' ' HG3' ' A' ' 36' ' ' GLU . 59.2 t80 -152.36 144.46 23.84 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -177.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.457 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 13.3 m-90 -90.91 114.5 26.98 Favored 'General case' 0 C--O 1.242 0.681 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 177.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -111.47 179.69 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.209 -176.237 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.614 ' O ' ' HG2' ' A' ' 72' ' ' MET . 17.4 m-70 -102.63 136.27 42.76 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 121.461 -0.775 . . . . 0.0 109.663 173.384 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.521 ' HD1' ' HA ' ' A' ' 53' ' ' PRO . 94.7 m95 -51.1 -38.21 50.42 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -176.337 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.481 ' HA ' ' CD2' ' A' ' 14' ' ' TYR . 27.1 p80 -67.91 -14.97 63.39 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -170.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.614 ' HG2' ' O ' ' A' ' 69' ' ' HIS . 9.9 ptm -107.64 13.46 26.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 121.817 -0.552 . . . . 0.0 111.379 -175.699 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.407 HD21 HG21 ' A' ' 57' ' ' VAL . 9.8 mp -114.33 137.65 51.54 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.199 0.523 . . . . 0.0 110.866 177.401 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -96.96 130.73 44.24 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 174.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.436 HG13 HD13 ' A' ' 22' ' ' LEU . 10.5 tt -89.22 126.48 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.345 -175.687 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.404 HD11 ' HB2' ' A' ' 29' ' ' ARG . 63.2 mt -101.27 -71.36 0.71 Allowed 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.742 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 138.49 -140.18 10.87 Favored Glycine 0 C--N 1.313 -0.714 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 -176.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -132.77 81.95 1.97 Allowed 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 117.544 0.672 . . . . 0.0 110.747 176.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 72.33 -58.84 0.58 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.016 178.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 . . . . . 0 C--N 1.325 -0.457 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 175.466 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.672 ' HG2' ' H ' ' A' ' 6' ' ' SER . 46.2 ttp . . . . . 0 N--CA 1.448 -0.571 0 CA-C-O 120.726 0.298 . . . . 0.0 110.242 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.55 ' O ' ' HD2' ' A' ' 8' ' ' PHE . 36.0 ttp-105 -60.22 -30.32 69.32 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.538 0.685 . . . . 0.0 111.88 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.672 ' H ' ' HG2' ' A' ' 4' ' ' MET . 12.5 m -78.29 0.67 24.45 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.232 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.43 ' HG3' ' HB3' ' A' ' 4' ' ' MET . 50.1 mt-10 -88.62 -5.59 58.06 Favored 'General case' 0 C--N 1.316 -0.863 0 O-C-N 122.167 -0.333 . . . . 0.0 111.682 178.52 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.55 ' HD2' ' O ' ' A' ' 5' ' ' ARG . 62.5 m-85 -66.63 167.57 10.81 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 175.426 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.89 -45.52 41.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.463 0.649 . . . . 0.0 111.27 -176.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.9 p -132.54 -0.17 3.58 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.849 178.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.65 -43.64 3.19 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 119.957 -1.116 . . . . 0.0 111.486 -172.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -58.83 -24.54 62.13 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 114.96 -0.62 . . . . 0.0 110.87 175.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 m -53.89 -30.04 44.25 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 123.383 0.673 . . . . 0.0 111.066 179.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.569 ' OH ' ' HA ' ' A' ' 74' ' ' GLU . 81.7 t80 -67.56 -45.91 74.24 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.183 176.121 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.573 ' HB1' ' HB2' ' A' ' 70' ' ' TRP . . . -60.3 -31.43 70.25 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.871 175.624 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.5 tp -70.77 -36.23 72.97 Favored 'General case' 0 N--CA 1.434 -1.244 0 CA-C-O 121.447 0.641 . . . . 0.0 110.157 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -64.86 -52.19 57.98 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.596 -1.184 . . . . 0.0 110.859 178.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.424 HG22 ' HA ' ' A' ' 15' ' ' ALA . 35.3 m -63.52 -34.21 66.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.488 ' HA ' ' CZ3' ' A' ' 70' ' ' TRP . 0.2 OUTLIER -54.13 -43.93 70.9 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.84 0.352 . . . . 0.0 110.196 173.456 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -77.56 -55.25 5.52 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.482 -175.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.4 m -89.36 -33.47 16.87 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -167.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.686 HD11 HG12 ' A' ' 28' ' ' VAL . 2.2 tt -79.34 98.4 6.69 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -176.203 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -93.76 162.63 26.67 Favored Pre-proline 0 N--CA 1.445 -0.684 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.078 -176.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.29 121.67 10.34 Favored 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 123.399 2.733 . . . . 0.0 111.621 174.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.29 -26.01 8.93 Favored Glycine 0 N--CA 1.439 -1.118 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -176.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 39.8 mtt -77.89 134.75 37.86 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.217 0.532 . . . . 0.0 111.1 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.601 ' HG3' ' O ' ' A' ' 43' ' ' GLY . 38.1 ttm180 -67.94 148.43 51.1 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.627 176.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.686 HG12 HD11 ' A' ' 22' ' ' LEU . 27.1 m -126.22 154.0 35.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.713 -178.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.737 ' HB3' ' HB3' ' A' ' 74' ' ' GLU . 43.4 ttm180 -120.39 124.59 45.88 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.985 177.497 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.553 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 12.3 tpt -78.03 119.16 21.08 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.258 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.689 HD11 ' HB2' ' A' ' 74' ' ' GLU . 93.0 mt -101.03 16.76 24.3 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 -175.018 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -161.55 151.58 17.07 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 121.731 -0.605 . . . . 0.0 110.735 -176.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.563 ' HA ' ' HA ' ' A' ' 38' ' ' SER . 12.0 t70 -89.9 126.43 35.71 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 176.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -153.49 103.75 2.68 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -170.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 69.99 -15.18 0.34 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.314 1.446 . . . . 0.0 114.297 166.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.538 ' HG3' HG12 ' A' ' 37' ' ' ILE . 9.8 pt-20 172.8 -31.38 0.0 OUTLIER 'General case' 0 C--O 1.24 0.594 0 CA-C-O 121.435 0.636 . . . . 0.0 110.655 -175.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.542 HG22 ' HG2' ' A' ' 30' ' ' MET . 36.1 mm -95.48 151.76 3.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 -179.214 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.563 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 47.2 p -124.65 167.79 14.05 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 118.673 0.67 . . . . 0.0 110.609 -175.478 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.09 128.19 35.11 Favored 'General case' 0 N--CA 1.427 -1.58 0 CA-C-O 121.473 0.654 . . . . 0.0 109.384 178.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.72 -13.6 46.23 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.894 -177.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -66.48 130.31 42.77 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 172.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -116.39 147.82 41.27 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.634 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.601 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -154.33 -170.42 20.18 Favored Glycine 0 C--N 1.308 -0.982 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.959 -171.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -125.73 147.82 49.25 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 117.551 0.676 . . . . 0.0 109.824 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -94.07 121.75 35.87 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -175.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.445 ' HB2' ' OE1' ' A' ' 47' ' ' GLN . 20.8 mtm180 -108.61 -47.61 3.46 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.202 -0.599 . . . . 0.0 112.413 -175.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.612 ' HG2' ' HB3' ' A' ' 56' ' ' GLN . 0.5 OUTLIER -157.21 160.45 38.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.994 0.426 . . . . 0.0 111.613 -174.636 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.4 m -129.28 153.76 47.49 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.947 175.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.466 ' O ' HG22 ' A' ' 52' ' ' VAL . 5.5 m-20 -90.16 105.49 17.84 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 175.085 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.5 p30 34.08 -97.71 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.463 1.105 . . . . 0.0 113.72 -176.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -142.01 42.62 1.13 Allowed Glycine 0 CA--C 1.506 -0.495 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.61 ' HB ' ' HD2' ' A' ' 53' ' ' PRO . 23.1 m -118.86 166.65 13.59 Favored Pre-proline 0 C--N 1.322 -0.608 0 O-C-N 123.727 0.31 . . . . 0.0 111.261 -178.292 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.61 ' HD2' ' HB ' ' A' ' 52' ' ' VAL . 33.9 Cg_exo -51.05 -52.08 9.85 Favored 'Trans proline' 0 CA--C 1.536 0.581 0 C-N-CA 122.805 2.336 . . . . 0.0 114.273 -179.151 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.457 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 10.5 Cg_endo -54.62 115.22 2.25 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 122.093 1.862 . . . . 0.0 113.54 -176.485 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.715 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 11.7 p -129.57 139.57 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.953 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.658 177.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.612 ' HB3' ' HG2' ' A' ' 47' ' ' GLN . 4.7 tp-100 -96.36 109.23 21.79 Favored 'General case' 0 C--O 1.254 1.302 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.332 -175.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.504 HG21 HD21 ' A' ' 73' ' ' LEU . 96.3 t -118.77 136.11 57.03 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 -178.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -95.21 115.5 27.51 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 175.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.553 ' CH2' ' HB2' ' A' ' 30' ' ' MET . 95.2 m95 -87.1 113.29 22.71 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -177.595 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.525 ' HG3' ' HA2' ' A' ' 43' ' ' GLY . 41.9 mt-10 -70.2 -38.34 75.28 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.356 0.598 . . . . 0.0 110.609 -172.327 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.7 p -66.03 -35.07 79.55 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.544 -178.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.69 -53.36 4.45 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 121.471 0.653 . . . . 0.0 110.465 179.389 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.41 16.05 12.78 Favored Glycine 0 N--CA 1.438 -1.173 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.457 179.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.6 mtm-85 -130.37 154.49 47.63 Favored 'General case' 0 CA--C 1.515 -0.367 0 O-C-N 122.524 -0.398 . . . . 0.0 110.612 -178.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.5 p -87.11 149.06 24.94 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 121.767 0.794 . . . . 0.0 110.83 171.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -150.68 145.44 25.83 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.492 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.715 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 4.7 m-90 -88.95 114.82 25.99 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 174.334 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.49 ' O ' HG12 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -112.2 178.21 1.4 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.123 -175.131 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.537 ' HB2' ' SD ' ' A' ' 72' ' ' MET . 38.0 m170 -103.69 135.93 44.33 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.449 174.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.573 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . 63.7 m95 -49.46 -44.77 45.96 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -174.222 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -65.84 -9.04 25.35 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -172.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.537 ' SD ' ' HB2' ' A' ' 69' ' ' HIS . 2.9 ptm -109.66 9.36 25.03 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.561 0.696 . . . . 0.0 111.585 -177.203 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.504 HD21 HG21 ' A' ' 57' ' ' VAL . 10.8 mp -108.93 135.98 49.22 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.889 178.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.737 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . 30.6 tt0 -103.47 141.56 35.77 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 173.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.718 HG12 ' H ' ' A' ' 77' ' ' GLY . 6.8 tt -91.21 131.02 39.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 120.981 0.42 . . . . 0.0 111.814 -174.494 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 29' ' ' ARG . 8.6 mp -109.85 42.08 1.58 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 176.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.718 ' H ' HG12 ' A' ' 75' ' ' ILE . . . -83.13 66.95 3.84 Favored Glycine 0 N--CA 1.448 -0.558 0 O-C-N 124.179 0.924 . . . . 0.0 111.399 -178.275 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 43.8 p90 44.69 33.77 1.02 Allowed 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.262 1.025 . . . . 0.0 113.316 177.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -96.63 -38.76 9.81 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 175.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 . . . . . 0 C--N 1.32 -0.69 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 175.464 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 36.2 ttm . . . . . 0 N--CA 1.449 -0.519 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 5' ' ' ARG . 0.7 OUTLIER -59.6 -28.18 66.94 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 175.511 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.8 m -75.64 10.51 1.71 Allowed 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.305 -177.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -72.3 -20.37 61.52 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 173.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.615 ' HB3' ' HB ' ' A' ' 13' ' ' THR . 67.5 m-85 -72.34 162.86 28.89 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 173.015 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.19 -46.9 65.76 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -175.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.3 p -128.98 7.66 5.57 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.11 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.99 -49.97 3.59 Favored Glycine 0 C--O 1.217 -0.955 0 C-N-CA 119.762 -1.209 . . . . 0.0 111.515 -174.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -63.89 -22.34 66.87 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 175.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.615 ' HB ' ' HB3' ' A' ' 8' ' ' PHE . 1.1 m -52.15 -26.79 12.25 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 173.694 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.474 ' O ' HG12 ' A' ' 18' ' ' VAL . 65.5 t80 -65.78 -50.05 66.12 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 173.275 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.96 -32.49 61.55 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 111.323 173.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.2 tp -73.26 -41.91 63.13 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.071 177.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -61.13 -49.06 78.78 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.632 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.612 HG23 ' CG2' ' A' ' 75' ' ' ILE . 2.5 p -62.21 -42.67 96.11 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.205 178.034 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.573 ' O ' ' HD3' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -65.67 -37.08 85.5 Favored 'General case' 0 C--O 1.246 0.904 0 CA-C-O 120.566 0.222 . . . . 0.0 110.428 177.61 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -70.3 -28.5 65.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.134 0.492 . . . . 0.0 111.478 -178.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.2 m -90.32 -39.96 12.4 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.567 -176.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 22' ' ' LEU . 16.8 mt -69.84 103.59 2.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 122.49 1.138 . . . . 0.0 112.249 -175.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -79.75 142.92 57.5 Favored Pre-proline 0 N--CA 1.44 -0.948 0 CA-C-N 114.408 -1.269 . . . . 0.0 109.864 171.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -50.58 107.92 0.19 Allowed 'Trans proline' 0 C--O 1.238 0.525 0 C-N-CA 123.313 2.675 . . . . 0.0 112.132 175.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.42 -16.11 9.85 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.142 -175.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.54 ' HB3' ' HA2' ' A' ' 77' ' ' GLY . 46.9 mtt -68.77 143.17 54.73 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 120.725 0.297 . . . . 0.0 111.462 177.027 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.71 ' HG3' ' O ' ' A' ' 43' ' ' GLY . 10.2 ttm180 -85.05 148.03 26.36 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.277 0.56 . . . . 0.0 110.561 -178.328 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.7 m -129.1 155.15 40.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.977 0.894 . . . . 0.0 110.548 -176.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.458 ' HB3' ' HB3' ' A' ' 74' ' ' GLU . 51.4 ttt-85 -121.1 137.45 54.66 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.449 176.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.536 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . 12.7 tpt -85.52 118.48 25.07 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 123.067 0.547 . . . . 0.0 110.03 -179.546 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.503 HD11 ' HB2' ' A' ' 74' ' ' GLU . 89.7 mt -93.22 -18.12 22.88 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -177.101 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.534 ' HB3' ' HE2' ' A' ' 72' ' ' MET . 31.8 t70 -122.09 153.83 38.16 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.543 -0.169 . . . . 0.0 110.543 -171.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -100.39 121.8 42.1 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 175.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -160.95 108.51 1.52 Allowed 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 113.086 0.772 . . . . 0.0 113.086 -167.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 67.44 -23.72 0.12 Allowed 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 163.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -169.07 -47.23 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 122.521 1.153 . . . . 0.0 110.053 -168.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.452 HG22 ' HG2' ' A' ' 30' ' ' MET . 20.5 mm -99.34 151.42 4.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.801 -175.502 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.8 m -114.9 159.72 20.36 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -175.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.56 132.07 45.66 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.81 -11.14 52.95 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.212 -177.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -70.13 150.92 46.03 Favored 'General case' 0 N--CA 1.442 -0.871 0 O-C-N 121.729 -0.865 . . . . 0.0 111.357 175.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -123.11 143.9 49.68 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -177.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.71 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -149.9 -177.05 23.57 Favored Glycine 0 C--N 1.311 -0.853 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 -176.187 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -130.5 145.68 51.9 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 117.199 0.499 . . . . 0.0 109.866 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -87.32 118.48 26.78 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 120.843 0.354 . . . . 0.0 110.55 -175.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.9 mtp180 -91.27 -56.67 3.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.014 177.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? 178.86 170.77 0.86 Allowed 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.754 -176.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.539 ' OG ' ' HA2' ' A' ' 51' ' ' GLY . 27.7 p -122.7 159.95 26.87 Favored 'General case' 0 C--N 1.314 -0.937 0 O-C-N 123.506 0.504 . . . . 0.0 110.613 178.684 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.464 ' C ' ' H ' ' A' ' 51' ' ' GLY . 18.5 m120 -80.78 111.98 17.73 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 65.41 -9.22 0.24 Allowed 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 124.028 0.931 . . . . 0.0 112.59 -175.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.539 ' HA2' ' OG ' ' A' ' 48' ' ' SER . . . 92.26 26.07 19.59 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.101 -1.047 . . . . 0.0 111.528 176.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 1.016 ' HB ' ' HD2' ' A' ' 53' ' ' PRO . 4.3 m -118.66 -170.78 0.19 Allowed Pre-proline 0 C--N 1.316 -0.855 0 CA-C-N 117.424 0.612 . . . . 0.0 109.558 -178.678 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 1.016 ' HD2' ' HB ' ' A' ' 52' ' ' VAL . 6.8 Cg_exo -35.11 -50.68 0.79 Allowed 'Trans proline' 0 CA--C 1.56 1.778 0 C-N-CA 123.879 3.053 . . . . 0.0 115.278 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.545 ' HD2' HG23 ' A' ' 52' ' ' VAL . 13.9 Cg_endo -58.57 105.47 0.22 Allowed 'Trans proline' 0 C--N 1.365 1.428 0 C-N-CA 121.877 1.718 . . . . 0.0 112.569 175.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.575 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 6.9 p -122.04 136.42 58.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.098 -174.518 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -101.09 112.06 24.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.529 0.68 . . . . 0.0 110.463 -176.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.1 t -121.73 133.37 68.38 Favored 'Isoleucine or valine' 0 C--O 1.248 1.02 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.731 -176.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -97.59 129.98 44.66 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 174.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.536 ' CZ3' ' HB2' ' A' ' 30' ' ' MET . 95.1 m95 -98.61 120.72 39.52 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.682 -0.235 . . . . 0.0 110.912 -172.563 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.409 ' H ' ' HA2' ' A' ' 43' ' ' GLY . 6.5 mm-40 -61.0 -52.48 64.83 Favored 'General case' 0 C--N 1.313 -1.018 0 C-N-CA 123.422 0.689 . . . . 0.0 111.452 -179.077 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.0 p -64.23 -38.16 90.06 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.328 -0.851 . . . . 0.0 112.77 -176.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.5 m -88.24 -54.87 3.99 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 121.275 0.56 . . . . 0.0 111.051 -177.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.93 20.74 12.12 Favored Glycine 0 C--N 1.322 -0.199 0 CA-C-O 121.827 0.682 . . . . 0.0 112.463 176.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -131.86 144.27 50.76 Favored 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 122.336 -0.508 . . . . 0.0 109.704 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -80.38 142.3 34.53 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 110.474 -0.195 . . . . 0.0 110.474 175.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -148.94 147.24 28.4 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 123.318 0.386 . . . . 0.0 110.762 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.575 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 10.6 m0 -89.17 114.47 25.77 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 174.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.54 HG12 ' H ' ' A' ' 69' ' ' HIS . 0.8 OUTLIER -106.47 -156.7 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.366 -173.097 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.826 ' HB2' ' SD ' ' A' ' 72' ' ' MET . 52.6 m80 -138.75 132.71 31.15 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 -173.013 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.704 ' HD1' ' HA ' ' A' ' 53' ' ' PRO . 98.5 m95 -57.8 -39.01 76.54 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -174.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -62.77 -19.33 63.89 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -175.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.826 ' SD ' ' HB2' ' A' ' 69' ' ' HIS . 5.9 ptm -109.7 6.62 23.84 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-O 121.333 0.587 . . . . 0.0 112.21 -173.31 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.4 mt -103.22 130.71 50.52 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.086 -178.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.503 ' HB2' HD11 ' A' ' 31' ' ' LEU . 37.0 tt0 -101.2 131.74 47.04 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 175.568 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.612 ' CG2' HG23 ' A' ' 18' ' ' VAL . 39.5 pt -88.29 124.56 41.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 C-N-CA 119.909 -0.716 . . . . 0.0 111.297 -173.591 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.7 mt -104.13 -29.47 10.84 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 176.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.54 ' HA2' ' HB3' ' A' ' 26' ' ' MET . . . 61.29 -114.44 6.69 Favored Glycine 0 CA--C 1.501 -0.783 0 N-CA-C 110.373 -1.091 . . . . 0.0 110.373 -177.059 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -107.55 132.59 53.1 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 169.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -49.72 -30.54 9.49 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -172.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 . . . . . 0 C--N 1.318 -0.799 0 O-C-N 122.033 -0.417 . . . . 0.0 111.11 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.562 ' HG2' ' H ' ' A' ' 6' ' ' SER . 23.7 ttt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.417 ' O ' ' HD1' ' A' ' 8' ' ' PHE . 4.7 tmm_? -62.09 -28.82 69.89 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.796 0.807 . . . . 0.0 110.55 177.689 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.562 ' H ' ' HG2' ' A' ' 4' ' ' MET . 23.8 m -82.01 13.3 3.44 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -178.21 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -74.78 -9.22 58.35 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.65 -0.656 . . . . 0.0 111.08 175.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.417 ' HD1' ' O ' ' A' ' 5' ' ' ARG . 78.3 m-85 -76.63 179.9 5.71 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.522 177.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -49.49 -48.67 47.73 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -171.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.1 m -134.36 10.14 3.77 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.246 0.546 . . . . 0.0 110.094 176.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.451 ' HA2' ' HA ' ' A' ' 6' ' ' SER . . . 81.53 -52.74 4.6 Favored Glycine 0 C--O 1.223 -0.563 0 O-C-N 121.552 -0.717 . . . . 0.0 112.034 -177.531 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -70.04 -25.29 63.49 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 122.877 0.471 . . . . 0.0 110.454 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.1 m -53.26 -32.42 48.4 Favored 'General case' 0 C--O 1.244 0.815 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.24 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -62.88 -40.06 96.38 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-O 120.991 0.424 . . . . 0.0 110.408 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.497 ' HB2' ' HA ' ' A' ' 71' ' ' HIS . . . -63.35 -31.27 72.38 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 123.079 0.552 . . . . 0.0 110.694 178.447 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.7 tp -69.23 -43.27 74.36 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -59.99 -54.1 50.03 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.453 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.591 HG12 HG22 ' A' ' 75' ' ' ILE . 35.9 m -67.4 -49.4 71.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -178.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -57.96 -37.77 74.78 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -175.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -72.99 -33.23 65.68 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-O 120.71 0.291 . . . . 0.0 111.575 -178.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.4 m -100.51 -24.17 14.53 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -169.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.4 tp -65.55 103.91 0.92 Allowed 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.093 0.473 . . . . 0.0 110.939 -174.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -94.41 148.36 34.87 Favored Pre-proline 0 N--CA 1.445 -0.697 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.35 176.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -52.0 115.41 2.13 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 123.059 2.506 . . . . 0.0 111.252 174.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.6 -8.23 19.88 Favored Glycine 0 C--N 1.334 0.427 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -178.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 61.4 mtt -84.42 136.08 34.0 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.478 0.656 . . . . 0.0 111.16 174.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.7 mtt180 -68.89 160.55 30.48 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 122.114 0.959 . . . . 0.0 110.813 174.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.2 m -134.66 150.97 30.76 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.155 0 CA-C-N 114.787 -1.097 . . . . 0.0 109.835 177.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.473 ' HB3' ' HB3' ' A' ' 74' ' ' GLU . 40.4 ttt180 -124.66 127.48 47.38 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.945 177.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.556 ' HG2' HG22 ' A' ' 37' ' ' ILE . 13.4 tpt -77.93 122.45 25.52 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.55 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.467 HD11 ' HB2' ' A' ' 74' ' ' GLU . 83.2 mt -110.12 -4.17 15.97 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-O 121.268 0.556 . . . . 0.0 112.197 -178.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.403 ' HB3' ' HB2' ' A' ' 72' ' ' MET . 2.1 t70 -121.9 -176.74 3.4 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.853 -177.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -121.02 121.62 38.35 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.327 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -150.7 104.52 3.2 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.318 0.58 . . . . 0.0 111.425 -175.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 55.84 -112.25 0.69 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.363 174.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -81.51 -14.74 56.59 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.762 -175.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.556 HG22 ' HG2' ' A' ' 30' ' ' MET . 10.5 mm -104.33 149.79 7.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.2 t -143.5 169.48 17.62 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 -177.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.37 131.36 50.54 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 121.349 0.595 . . . . 0.0 112.254 -173.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.93 -16.23 43.32 Favored Glycine 0 C--N 1.313 -0.727 0 CA-C-N 114.929 -1.032 . . . . 0.0 112.712 174.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -66.51 148.11 52.34 Favored 'General case' 0 C--O 1.248 0.985 0 CA-C-N 117.127 0.463 . . . . 0.0 110.145 178.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -127.58 147.91 50.35 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 120.9 0.381 . . . . 0.0 110.328 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -148.42 174.55 28.06 Favored Glycine 0 N--CA 1.433 -1.508 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.879 -177.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -105.41 140.29 38.74 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 177.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.529 ' HE1' ' HB3' ' A' ' 48' ' ' SER . 68.9 t80 -95.87 117.49 30.68 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 122.054 -0.404 . . . . 0.0 110.396 -178.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -105.98 -47.14 3.93 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.977 -176.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.408 ' HG3' ' HB3' ' A' ' 56' ' ' GLN . 19.3 pt20 -158.84 156.62 29.99 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.489 -178.448 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.61 ' HB3' HG23 ' A' ' 55' ' ' VAL . 72.4 p -141.11 170.81 15.02 Favored 'General case' 0 C--N 1.312 -1.033 0 O-C-N 122.051 -0.405 . . . . 0.0 110.781 177.192 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -91.13 109.53 20.79 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 170.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -76.15 31.48 0.12 Allowed 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -173.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -164.09 -31.62 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 111.871 -0.492 . . . . 0.0 111.871 -178.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.701 HG12 ' HD2' ' A' ' 54' ' ' PRO . 2.2 t -105.86 143.9 27.81 Favored Pre-proline 0 N--CA 1.469 0.516 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 176.145 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.565 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 51.0 Cg_exo -46.46 -40.94 23.35 Favored 'Trans proline' 0 CA--C 1.545 1.058 0 C-N-CA 123.781 2.987 . . . . 0.0 116.489 -179.515 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.701 ' HD2' HG12 ' A' ' 52' ' ' VAL . 9.6 Cg_endo -53.91 130.85 41.3 Favored 'Trans proline' 0 C--N 1.368 1.576 0 C-N-CA 122.609 2.206 . . . . 0.0 113.562 -177.553 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.61 HG23 ' HB3' ' A' ' 48' ' ' SER . 6.4 p -127.94 137.59 57.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 114.338 -1.301 . . . . 0.0 109.456 178.355 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.408 ' HB3' ' HG3' ' A' ' 47' ' ' GLN . 5.6 tp-100 -94.74 108.22 20.22 Favored 'General case' 0 N--CA 1.441 -0.893 0 O-C-N 121.599 -0.688 . . . . 0.0 110.43 -174.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.1 t -121.53 137.21 55.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.04 -177.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.449 ' HD2' HG23 ' A' ' 65' ' ' THR . 41.7 t80 -92.54 109.88 21.29 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 173.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.469 ' HZ2' HG21 ' A' ' 68' ' ' VAL . 99.2 m95 -80.38 114.0 18.96 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.473 -176.705 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -58.99 -47.17 86.16 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.021 0.825 . . . . 0.0 110.558 -177.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 m -57.23 -40.43 77.55 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.876 -176.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.8 m -87.83 -46.22 9.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.869 0.842 . . . . 0.0 111.515 -177.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.19 20.05 24.26 Favored Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.814 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -135.37 160.94 36.86 Favored 'General case' 0 C--O 1.238 0.481 0 O-C-N 121.969 -0.724 . . . . 0.0 110.605 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.449 HG23 ' HD2' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -88.8 144.11 26.45 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.302 0.572 . . . . 0.0 110.36 173.75 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -149.53 145.1 26.67 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.142 -173.156 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.578 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 16.9 m-90 -92.41 116.17 28.74 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 177.067 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.474 ' O ' HG12 ' A' ' 55' ' ' VAL . 2.0 t -111.29 175.34 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.672 -179.194 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.616 ' O ' ' HG2' ' A' ' 72' ' ' MET . 34.9 m-70 -100.02 137.59 38.26 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.849 -0.532 . . . . 0.0 110.139 173.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -47.26 -48.81 24.5 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -178.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.497 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . 23.8 p80 -65.21 -4.79 5.57 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 -169.029 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.616 ' HG2' ' O ' ' A' ' 69' ' ' HIS . 17.1 ptp -113.56 5.7 16.71 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 118.645 0.657 . . . . 0.0 112.242 -178.52 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.413 HD21 HG11 ' A' ' 68' ' ' VAL . 91.4 mt -111.55 141.03 45.65 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.582 0.706 . . . . 0.0 111.514 -177.29 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.473 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . 40.1 tt0 -102.41 139.87 37.44 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.223 174.378 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.591 HG22 HG12 ' A' ' 18' ' ' VAL . 5.6 tt -81.75 122.05 36.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 179.141 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.1 tt -114.15 78.34 1.14 Allowed 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -86.91 161.62 33.39 Favored Glycine 0 N--CA 1.44 -1.092 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.253 -177.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -112.09 20.83 16.5 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 177.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -88.75 98.48 11.73 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.081 -176.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 . . . . . 0 CA--C 1.532 0.257 0 CA-C-N 114.79 -1.096 . . . . 0.0 110.95 179.655 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.579 ' HG3' ' H ' ' A' ' 6' ' ' SER . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.225 0 N-CA-C 111.352 0.13 . . . . 0.0 111.352 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.591 ' HD2' ' O ' ' A' ' 71' ' ' HIS . 32.4 mtm-85 -62.88 -27.63 69.49 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 123.726 0.641 . . . . 0.0 110.997 179.146 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.579 ' H ' ' HG3' ' A' ' 4' ' ' MET . 10.2 m -67.93 -2.05 6.78 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 178.215 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.493 ' HG3' ' HB3' ' A' ' 4' ' ' MET . 42.6 mt-10 -77.01 -3.31 38.38 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 122.275 -0.265 . . . . 0.0 111.65 -176.755 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.457 ' HB3' ' HB ' ' A' ' 13' ' ' THR . 42.4 m-85 -67.98 176.34 2.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.887 0.375 . . . . 0.0 110.709 176.325 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.05 -46.78 61.79 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.977 -175.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.4 m -123.64 9.19 8.93 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.311 0.577 . . . . 0.0 111.438 178.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.74 -61.65 2.86 Favored Glycine 0 CA--C 1.522 0.471 0 C-N-CA 120.316 -0.945 . . . . 0.0 112.063 -176.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -57.74 -20.78 37.14 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 124.293 0.643 . . . . 0.0 110.549 175.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.457 ' HB ' ' HB3' ' A' ' 8' ' ' PHE . 21.6 m -49.24 -33.72 13.34 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.788 0.835 . . . . 0.0 111.617 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -69.82 -52.51 24.42 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.403 178.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.574 ' O ' ' HG3' ' A' ' 19' ' ' ARG . . . -59.49 -28.99 67.52 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.214 0.531 . . . . 0.0 111.609 177.155 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.4 tp -73.18 -43.62 61.13 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.941 0.877 . . . . 0.0 109.62 175.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -59.97 -44.61 94.35 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.38 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.456 HG22 ' HA ' ' A' ' 15' ' ' ALA . 32.9 m -61.93 -44.05 98.35 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.935 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.574 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 69.9 mtp180 -62.19 -30.29 70.97 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.042 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -63.34 -52.66 60.89 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.018 -177.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.516 ' HB ' HD12 ' A' ' 75' ' ' ILE . 9.1 m -92.58 -33.02 14.6 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.891 -174.123 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.596 HD23 HG22 ' A' ' 75' ' ' ILE . 0.3 OUTLIER -78.71 100.49 7.09 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 121.288 0.566 . . . . 0.0 110.6 -175.235 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.458 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 13.2 pt20 -104.3 169.37 7.32 Favored Pre-proline 0 C--N 1.313 -0.996 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.775 178.392 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.458 ' HD2' ' HB2' ' A' ' 23' ' ' GLN . 50.1 Cg_exo -54.39 128.54 30.5 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.302 2.001 . . . . 0.0 111.674 174.167 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.97 -10.66 70.08 Favored Glycine 0 CA--C 1.508 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.336 -178.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.627 ' SD ' ' HA2' ' A' ' 77' ' ' GLY . 49.5 tpp -80.65 138.48 36.4 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 121.425 0.631 . . . . 0.0 110.224 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.3 ttp85 -81.6 142.19 33.01 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.05 -177.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.453 HG12 HD21 ' A' ' 22' ' ' LEU . 28.4 m -124.75 160.74 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-O 121.655 0.741 . . . . 0.0 110.715 -175.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.926 ' HB2' HD21 ' A' ' 76' ' ' LEU . 14.8 ttt180 -125.92 135.07 51.46 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.424 174.205 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.479 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 12.7 tpt -79.71 121.44 25.34 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.834 -0.166 . . . . 0.0 110.669 -178.62 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.455 HD21 ' HB2' ' A' ' 74' ' ' GLU . 87.9 mt -84.37 -22.04 30.65 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.056 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -136.06 160.73 37.75 Favored 'General case' 0 C--O 1.215 -0.733 0 C-N-CA 120.097 -0.641 . . . . 0.0 110.674 -170.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.427 ' HA ' ' HA ' ' A' ' 38' ' ' SER . 11.6 t70 -91.33 129.22 37.34 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 176.387 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -153.96 98.88 2.21 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 -171.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 63.43 -12.3 0.09 Allowed 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 115.321 1.6 . . . . 0.0 115.321 167.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -177.17 -40.32 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.275 0 O-C-N 121.585 -0.697 . . . . 0.0 109.832 -174.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.443 HG22 ' HG2' ' A' ' 30' ' ' MET . 31.0 mm -98.15 150.19 4.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -177.496 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.427 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 70.5 m -122.74 162.76 21.42 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.357 -177.213 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.16 128.27 35.32 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.502 177.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.26 -18.1 39.55 Favored Glycine 0 CA--C 1.503 -0.671 0 C-N-CA 120.382 -0.914 . . . . 0.0 112.814 -179.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -66.99 141.93 57.42 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -119.53 149.77 41.36 Favored 'General case' 0 N--CA 1.444 -0.76 0 O-C-N 123.705 0.628 . . . . 0.0 110.631 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -158.85 -171.95 25.33 Favored Glycine 0 N--CA 1.439 -1.146 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -177.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -122.45 146.49 47.32 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.6 ' HE1' ' HB3' ' A' ' 48' ' ' SER . 61.5 t80 -92.31 124.1 36.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.838 178.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 46' ' ' ARG . 51.1 mtp180 -106.71 -55.63 2.3 Favored 'General case' 0 C--N 1.315 -0.931 0 O-C-N 123.709 0.631 . . . . 0.0 112.102 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -149.5 148.56 29.55 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-O 121.252 0.549 . . . . 0.0 110.742 -172.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.6 ' HB3' ' HE1' ' A' ' 45' ' ' PHE . 28.5 p -140.12 171.7 13.81 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.65 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -90.08 145.04 25.36 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 170.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -72.69 -18.73 61.52 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -168.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -147.24 5.5 1.04 Allowed Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 119.25 -1.452 . . . . 0.0 115.059 -174.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.526 ' HB ' ' HD2' ' A' ' 53' ' ' PRO . 16.3 m -125.98 163.35 40.11 Favored Pre-proline 0 CA--C 1.534 0.356 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.642 179.175 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.573 ' HA ' ' HD1' ' A' ' 70' ' ' TRP . 41.2 Cg_exo -52.19 -45.49 38.9 Favored 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 124.156 3.237 . . . . 0.0 115.979 -178.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.444 ' HD2' HG23 ' A' ' 52' ' ' VAL . 83.8 Cg_exo -47.79 116.38 1.87 Allowed 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.789 2.326 . . . . 0.0 114.012 -176.185 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.56 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 5.6 p -130.14 133.92 63.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 123.771 0.669 . . . . 0.0 109.842 178.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -98.05 111.7 23.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.22 0.534 . . . . 0.0 110.16 -173.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.5 t -120.68 139.03 49.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.697 -176.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -91.21 114.03 26.45 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 174.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.479 ' CH2' ' HB2' ' A' ' 30' ' ' MET . 96.3 m95 -95.55 117.87 31.22 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.679 -178.446 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -76.56 -37.25 56.9 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.577 -171.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.18 -32.34 73.98 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.931 -175.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.2 p -95.51 -46.76 6.53 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.394 175.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 104.08 20.83 10.05 Favored Glycine 0 C--O 1.225 -0.426 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.703 176.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -129.69 148.48 51.58 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 117.053 0.427 . . . . 0.0 111.094 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.8 p -79.2 137.83 37.59 Favored 'General case' 0 C--O 1.249 1.028 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.48 171.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -144.99 141.34 28.86 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-O 120.463 0.173 . . . . 0.0 111.165 -174.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.56 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 27.9 m-90 -90.0 115.45 27.3 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 178.316 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.613 HG12 ' H ' ' A' ' 69' ' ' HIS . 1.3 t -106.38 -154.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 123.4 0.68 . . . . 0.0 109.476 -176.61 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.713 ' HB2' ' HG3' ' A' ' 72' ' ' MET . 46.2 m-70 -136.46 133.9 37.08 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 105.448 -2.056 . . . . 0.0 105.448 -176.293 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.573 ' HD1' ' HA ' ' A' ' 53' ' ' PRO . 97.6 m95 -43.55 -51.85 6.56 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -176.457 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.591 ' O ' ' HD2' ' A' ' 5' ' ' ARG . 1.8 p-80 -76.75 1.21 17.88 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -174.578 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.713 ' HG3' ' HB2' ' A' ' 69' ' ' HIS . 53.6 mtp -95.63 -8.05 35.94 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.557 -0.715 . . . . 0.0 109.67 177.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.1 mt -101.07 136.92 40.15 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.554 -175.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.455 ' HB2' HD21 ' A' ' 31' ' ' LEU . 43.9 tt0 -108.13 138.24 44.73 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 173.689 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.596 HG22 HD23 ' A' ' 22' ' ' LEU . 36.8 pt -98.27 130.61 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.898 0 CA-C-O 121.075 0.464 . . . . 0.0 111.309 -174.489 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.926 HD21 ' HB2' ' A' ' 29' ' ' ARG . 2.6 mm? -96.14 -73.59 0.59 Allowed 'General case' 0 C--O 1.24 0.562 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 172.65 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.627 ' HA2' ' SD ' ' A' ' 26' ' ' MET . . . 118.4 117.03 2.74 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 111.767 -0.533 . . . . 0.0 111.767 -179.116 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -63.02 -30.33 71.52 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-O 121.781 0.8 . . . . 0.0 110.076 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -97.79 1.09 47.95 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.673 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.446 ' HB2' ' HA3' ' A' ' 77' ' ' GLY . 1.6 tm-20 . . . . . 0 C--N 1.324 -0.509 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.639 ' HB2' ' HB2' ' A' ' 7' ' ' GLU . 5.1 mpp? . . . . . 0 N--CA 1.473 0.706 0 CA-C-O 121.814 0.816 . . . . 0.0 111.306 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.688 ' HD3' ' H ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -57.87 -43.84 86.23 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.439 178.866 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.434 ' HA ' ' HA2' ' A' ' 11' ' ' GLY . 65.1 m -91.77 11.72 23.74 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 123.221 0.326 . . . . 0.0 111.295 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.639 ' HB2' ' HB2' ' A' ' 4' ' ' MET . 36.7 tt0 -79.12 -21.42 46.61 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 174.599 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.444 ' CE1' ' HD1' ' A' ' 14' ' ' TYR . 55.3 m-85 -67.61 178.91 1.49 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.966 175.167 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.62 -47.16 73.76 Favored 'General case' 0 C--O 1.241 0.635 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -176.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.9 t -128.19 -1.21 5.76 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -177.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.562 ' HA2' ' O ' ' A' ' 5' ' ' ARG . . . 85.36 -45.45 3.5 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.535 -0.84 . . . . 0.0 111.908 -176.178 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -56.4 -25.07 48.75 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 114.872 -0.664 . . . . 0.0 110.676 174.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.614 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -59.95 -31.63 70.04 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.932 0.872 . . . . 0.0 111.503 179.6 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.444 ' HD1' ' CE1' ' A' ' 8' ' ' PHE . 77.8 t80 -69.94 -37.5 75.89 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.087 177.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.536 ' HB1' ' HB2' ' A' ' 70' ' ' TRP . . . -62.63 -38.84 91.8 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 123.497 0.719 . . . . 0.0 111.231 177.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' ' 13' ' ' THR . 3.7 pp -74.74 -28.71 60.89 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-O 121.67 0.747 . . . . 0.0 110.244 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -64.47 -53.77 43.07 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.132 176.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.4 m -69.44 -31.75 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.902 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.273 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 47.0 ttp180 -50.4 -54.13 24.15 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 122.925 0.49 . . . . 0.0 110.751 176.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -75.77 -11.97 60.09 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.572 -175.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.5 m -99.09 -16.88 18.48 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 121.524 0.678 . . . . 0.0 110.457 -179.019 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.532 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 26.0 tp -85.72 105.96 16.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.161 -176.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -92.35 149.41 38.33 Favored Pre-proline 0 C--O 1.238 0.485 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.081 177.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -55.99 126.08 21.2 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.775 2.317 . . . . 0.0 112.23 175.012 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.57 -19.08 24.37 Favored Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 120.533 -0.842 . . . . 0.0 111.359 -176.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.426 ' HB3' ' HA2' ' A' ' 77' ' ' GLY . 50.7 mtt -75.92 135.68 40.1 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.539 0.685 . . . . 0.0 110.502 178.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.7 ttm-85 -82.71 144.38 30.27 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.782 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.458 ' CG2' HD11 ' A' ' 73' ' ' LEU . 27.0 m -128.69 160.09 39.63 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.479 0 CA-C-N 115.573 -0.74 . . . . 0.0 112.193 -175.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.547 ' HE ' ' HG2' ' A' ' 42' ' ' GLU . 20.7 tpp85 -121.03 133.68 55.26 Favored 'General case' 0 C--N 1.31 -1.129 0 O-C-N 124.476 1.11 . . . . 0.0 110.214 179.236 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.474 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 14.4 tpt -84.87 122.66 29.48 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.612 0.72 . . . . 0.0 110.15 176.52 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.7 mp -100.8 2.28 41.01 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.685 -175.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -144.97 156.25 43.85 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 118.081 0.4 . . . . 0.0 111.037 -176.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -91.06 122.25 33.56 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 177.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -144.92 97.28 2.99 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 123.563 0.54 . . . . 0.0 110.684 -169.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 58.05 -114.69 0.79 Allowed 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.279 0.562 . . . . 0.0 111.946 -177.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -75.79 -23.08 55.85 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.615 -174.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.47 HG22 ' HG2' ' A' ' 30' ' ' MET . 35.0 mm -95.28 147.32 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.856 -176.627 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.3 p -122.97 164.92 17.61 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.103 0.478 . . . . 0.0 109.907 -177.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.39 133.16 48.25 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.959 177.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.24 -15.12 57.98 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.586 -177.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -62.14 145.46 53.32 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.547 ' HG2' ' HE ' ' A' ' 29' ' ' ARG . 43.8 mt-10 -125.73 146.36 49.79 Favored 'General case' 0 CA--C 1.51 -0.562 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.019 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.412 ' HA2' ' HG3' ' A' ' 60' ' ' GLU . . . -153.46 -178.01 27.56 Favored Glycine 0 C--N 1.313 -0.698 0 C-N-CA 120.329 -0.939 . . . . 0.0 112.22 -177.226 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -116.58 141.03 48.72 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 115.161 -0.52 . . . . 0.0 109.644 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.532 ' CD2' ' HG ' ' A' ' 22' ' ' LEU . 60.7 t80 -93.09 124.63 37.2 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 -178.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -116.6 -43.29 2.92 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -176.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -145.09 148.87 34.13 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 119.382 -0.927 . . . . 0.0 112.158 -177.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.3 p -130.66 146.85 52.25 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.611 173.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.601 ' O ' HG22 ' A' ' 52' ' ' VAL . 91.6 m-20 -106.43 105.49 15.55 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -177.313 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.3 m120 68.18 -51.41 0.54 Allowed 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 169.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 140.24 44.0 0.07 OUTLIER Glycine 0 C--N 1.304 -1.198 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 -169.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.601 HG22 ' O ' ' A' ' 49' ' ' ASN . 28.9 m -116.05 163.22 22.2 Favored Pre-proline 0 N--CA 1.448 -0.566 0 CA-C-N 115.13 -0.535 . . . . 0.0 110.713 -173.548 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.525 ' HD2' ' HB ' ' A' ' 52' ' ' VAL . 32.2 Cg_exo -52.58 -47.07 29.11 Favored 'Trans proline' 0 N--CA 1.478 0.592 0 C-N-CA 123.099 2.533 . . . . 0.0 114.62 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 31.5 Cg_endo -65.28 135.17 41.98 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 121.454 1.436 . . . . 0.0 112.663 177.477 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.634 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 7.5 p -130.35 140.02 49.88 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.891 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.995 178.527 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.547 ' OE1' ' HB ' ' A' ' 65' ' ' THR . 5.9 tp-100 -93.49 109.05 20.65 Favored 'General case' 0 C--O 1.247 0.923 0 O-C-N 123.243 0.34 . . . . 0.0 110.58 -178.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.2 t -124.88 134.71 66.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.838 -177.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -88.71 103.93 16.41 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.469 175.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.476 ' CD1' ' HB3' ' A' ' 66' ' ' TYR . 98.9 m95 -83.32 117.55 23.07 Favored 'General case' 0 C--N 1.311 -1.08 0 O-C-N 123.668 0.605 . . . . 0.0 111.016 -175.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.412 ' HG3' ' HA2' ' A' ' 43' ' ' GLY . 43.8 mt-10 -69.29 -34.7 75.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.065 -172.654 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 m -64.56 -40.1 94.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.696 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.3 p -87.76 -36.52 17.27 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.228 0.537 . . . . 0.0 110.547 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.16 26.07 29.59 Favored Glycine 0 N--CA 1.46 0.269 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.086 178.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -147.2 165.13 30.96 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 121.257 -0.177 . . . . 0.0 110.846 -178.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.547 ' HB ' ' OE1' ' A' ' 56' ' ' GLN . 16.5 p -86.23 141.97 28.92 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 123.244 0.34 . . . . 0.0 111.576 179.252 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.476 ' HB3' ' CD1' ' A' ' 59' ' ' TRP . 72.3 t80 -146.26 143.73 29.38 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.921 -176.387 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.634 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 9.9 m-90 -93.63 116.17 28.66 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.927 0.767 . . . . 0.0 109.409 176.465 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.44 HG21 ' HZ2' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -114.93 -178.51 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -175.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.602 ' O ' ' HG2' ' A' ' 72' ' ' MET . 30.0 m-70 -109.2 136.12 49.2 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.068 174.384 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.536 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . 89.3 m95 -52.05 -43.0 63.57 Favored 'General case' 0 C--O 1.223 -0.316 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -174.079 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -71.83 -4.98 31.05 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -169.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.602 ' HG2' ' O ' ' A' ' 69' ' ' HIS . 20.9 ptp -111.31 9.44 21.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.907 0.86 . . . . 0.0 109.714 176.749 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.458 HD11 ' CG2' ' A' ' 28' ' ' VAL . 51.5 tp -118.37 135.46 54.31 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.138 -175.545 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -111.74 142.96 43.42 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-O 121.762 0.791 . . . . 0.0 110.704 179.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.0 tt -98.3 124.7 51.55 Favored 'Isoleucine or valine' 0 C--O 1.245 0.852 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.653 -174.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.6 mp -107.51 -37.15 6.27 Favored 'General case' 0 CA--C 1.508 -0.653 0 C-N-CA 122.806 0.442 . . . . 0.0 110.777 177.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.426 ' HA2' ' HB3' ' A' ' 26' ' ' MET . . . 88.03 -152.43 23.72 Favored Glycine 0 N--CA 1.437 -1.238 0 N-CA-C 111.717 -0.553 . . . . 0.0 111.717 179.408 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -136.99 95.02 3.03 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 121.912 0.863 . . . . 0.0 110.603 172.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -95.7 -56.51 2.66 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 114.588 -1.187 . . . . 0.0 108.867 176.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 . . . . . 0 C--N 1.322 -0.624 0 CA-C-N 114.983 -1.008 . . . . 0.0 108.467 172.765 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.712 ' HG2' ' HB3' ' A' ' 7' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 121.336 0.589 . . . . 0.0 111.015 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.6 -34.54 78.12 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.084 -176.251 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.6 p -82.31 12.37 4.47 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.94 -173.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.712 ' HB3' ' HG2' ' A' ' 4' ' ' MET . 10.3 pt-20 -70.53 -18.82 62.94 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 117.968 0.349 . . . . 0.0 111.438 -178.122 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -60.79 157.37 15.08 Favored 'General case' 0 C--O 1.242 0.683 0 O-C-N 123.709 0.63 . . . . 0.0 110.607 179.346 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.33 92.4 Favored 'General case' 0 C--O 1.241 0.616 0 O-C-N 123.332 0.395 . . . . 0.0 110.939 -173.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.6 m -98.82 -8.57 25.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.116 0.484 . . . . 0.0 110.689 177.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.32 -56.46 1.96 Allowed Glycine 0 C--N 1.341 0.85 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.41 -175.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -58.07 -25.41 61.23 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 123.854 0.861 . . . . 0.0 111.492 178.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.5 m -52.13 -29.74 23.34 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 123.004 0.521 . . . . 0.0 111.417 178.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -61.24 -54.52 43.1 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 175.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.546 ' HB1' ' HB2' ' A' ' 70' ' ' TRP . . . -61.07 -30.59 70.42 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.925 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.2 tp -73.51 -41.48 63.02 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.452 0.644 . . . . 0.0 110.575 -178.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -66.74 -51.47 55.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.769 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.2 m -58.95 -41.74 83.99 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -178.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.47 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 7.0 ptm180 -71.88 -20.59 61.78 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-O 120.744 0.307 . . . . 0.0 111.611 -179.118 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -75.58 -35.89 60.48 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.819 178.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 m -82.51 -34.41 27.94 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 120.676 0.274 . . . . 0.0 110.279 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.68 ' HA ' ' SD ' ' A' ' 26' ' ' MET . 38.7 tp -71.79 96.67 1.67 Allowed 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.114 -177.078 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.415 ' O ' ' HB2' ' A' ' 26' ' ' MET . 67.1 mt-30 -86.48 162.36 45.64 Favored Pre-proline 0 N--CA 1.448 -0.565 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.788 178.409 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.423 ' HA ' ' CD2' ' A' ' 45' ' ' PHE . 35.8 Cg_exo -57.84 124.52 16.19 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.909 2.406 . . . . 0.0 111.647 176.652 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.08 -5.46 61.34 Favored Glycine 0 CA--C 1.508 -0.351 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.628 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.68 ' SD ' ' HA ' ' A' ' 22' ' ' LEU . 8.6 ttt -74.91 134.45 41.59 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.416 0.627 . . . . 0.0 109.949 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.598 ' HG3' ' O ' ' A' ' 43' ' ' GLY . 35.1 ttm180 -76.16 141.73 41.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.894 178.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.485 HG21 HG11 ' A' ' 57' ' ' VAL . 34.7 m -119.84 161.78 18.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.087 -173.534 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -121.42 122.58 40.11 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.127 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.533 ' HG2' HG22 ' A' ' 37' ' ' ILE . 10.6 tpt -74.51 108.73 7.46 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-O 122.084 0.945 . . . . 0.0 109.206 176.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 31' ' ' LEU . 0.6 OUTLIER -89.01 -28.22 20.33 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.458 -1.246 . . . . 0.0 111.434 -171.291 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.542 ' HB3' ' HB2' ' A' ' 72' ' ' MET . 18.8 t70 -135.7 138.73 43.06 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -178.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -75.88 145.79 40.25 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.258 0.552 . . . . 0.0 110.438 -173.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.685 ' HB2' ' HE1' ' A' ' 72' ' ' MET . 17.8 t80 -155.69 108.96 2.74 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.876 -176.504 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 54.29 -110.64 0.57 Allowed 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 114.855 -1.066 . . . . 0.0 112.648 176.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -72.47 -28.4 62.89 Favored 'General case' 0 CA--C 1.505 -0.765 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -178.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.533 HG22 ' HG2' ' A' ' 30' ' ' MET . 20.9 mm -98.69 147.59 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 CA-C-O 121.192 0.52 . . . . 0.0 109.697 -174.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 71.2 m -126.05 166.03 17.74 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -177.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.36 137.77 54.86 Favored 'General case' 0 N--CA 1.438 -1.042 0 O-C-N 122.157 -0.339 . . . . 0.0 110.745 -176.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.5 -14.89 57.78 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 121.237 -0.506 . . . . 0.0 112.754 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.461 ' CG ' ' HB3' ' A' ' 61' ' ' SER . 3.7 t70 -68.53 142.1 55.34 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 177.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -118.18 147.83 42.97 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 -178.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.598 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -159.11 -171.76 25.33 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.301 -0.952 . . . . 0.0 111.98 -176.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -125.19 144.14 50.59 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -178.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.423 ' CD2' ' HA ' ' A' ' 24' ' ' PRO . 49.5 t80 -86.59 118.13 25.81 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.442 -175.345 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.464 HH11 ' HD3' ' A' ' 46' ' ' ARG . 23.9 mmt-85 -85.25 -55.75 3.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.842 -0.163 . . . . 0.0 111.388 -178.266 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -177.72 170.8 1.93 Allowed 'General case' 0 CA--C 1.541 0.605 0 O-C-N 123.503 0.502 . . . . 0.0 110.731 -173.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.4 p -141.22 171.93 13.38 Favored 'General case' 0 C--N 1.309 -1.155 0 O-C-N 123.945 0.778 . . . . 0.0 109.325 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.471 ' O ' HG22 ' A' ' 52' ' ' VAL . 45.2 m-80 -114.53 105.07 12.66 Favored 'General case' 0 N--CA 1.443 -0.815 0 O-C-N 121.596 -0.69 . . . . 0.0 111.313 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 55.41 -92.6 0.03 OUTLIER 'General case' 0 C--O 1.238 0.475 0 C-N-CA 123.995 0.918 . . . . 0.0 111.521 175.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -149.62 38.33 0.94 Allowed Glycine 0 N--CA 1.435 -1.368 0 C-N-CA 121.024 -0.607 . . . . 0.0 112.057 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 49' ' ' ASN . 32.9 m -91.8 153.12 43.67 Favored Pre-proline 0 C--O 1.232 0.139 0 O-C-N 122.387 -0.478 . . . . 0.0 111.055 -178.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.506 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 26.1 Cg_exo -56.22 -45.97 34.08 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.679 2.253 . . . . 0.0 114.587 175.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 29.5 Cg_endo -62.56 130.94 31.59 Favored 'Trans proline' 0 C--N 1.368 1.601 0 C-N-CA 121.445 1.43 . . . . 0.0 113.048 178.339 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.728 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 4.6 p -130.38 139.89 50.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.195 -178.65 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -95.4 108.55 20.76 Favored 'General case' 0 N--CA 1.434 -1.247 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.524 -177.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.485 HG11 HG21 ' A' ' 28' ' ' VAL . 70.5 t -124.29 138.46 53.77 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 -175.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -97.96 123.28 41.89 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 176.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -95.14 112.87 24.52 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 -176.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.444 ' HG3' ' HA2' ' A' ' 43' ' ' GLY . 41.3 mt-10 -76.13 -17.59 59.52 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 124.1 0.875 . . . . 0.0 111.256 -169.523 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.461 ' HB3' ' CG ' ' A' ' 41' ' ' ASP . 25.9 t -79.89 -26.38 40.27 Favored 'General case' 0 N--CA 1.447 -0.621 0 O-C-N 123.556 0.535 . . . . 0.0 109.845 -178.526 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.1 p -105.27 -49.41 3.46 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-O 121.096 0.474 . . . . 0.0 111.353 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.58 16.21 14.99 Favored Glycine 0 CA--C 1.508 -0.389 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -173.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -114.16 139.86 49.0 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.488 -0.19 . . . . 0.0 110.488 -178.004 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.25 139.52 30.41 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 166.175 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -151.91 148.48 27.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.687 -175.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.728 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -93.12 116.21 28.82 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 121.418 0.627 . . . . 0.0 109.816 179.219 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.488 HG12 ' H ' ' A' ' 69' ' ' HIS . 3.5 t -109.21 176.29 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 -176.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.529 ' O ' ' HG2' ' A' ' 72' ' ' MET . 21.7 m-70 -107.82 136.79 46.96 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 121.197 -0.201 . . . . 0.0 110.912 172.228 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.573 ' HZ3' HD23 ' A' ' 22' ' ' LEU . 85.3 m95 -54.4 -35.55 62.99 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -172.506 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -79.24 2.76 20.06 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -171.48 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.685 ' HE1' ' HB2' ' A' ' 34' ' ' TYR . 22.3 ptm -122.0 14.44 10.68 Favored 'General case' 0 C--O 1.241 0.657 0 C-N-CA 120.303 -0.559 . . . . 0.0 111.247 177.128 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 70' ' ' TRP . 4.0 pp -118.7 149.33 41.61 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.532 0.682 . . . . 0.0 111.653 177.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.49 140.24 38.89 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.414 175.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.413 HD11 ' CE ' ' A' ' 26' ' ' MET . 0.0 OUTLIER -94.75 119.4 42.72 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 C-N-CA 122.676 0.39 . . . . 0.0 110.826 -177.578 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.6 mt -95.75 -82.24 0.39 Allowed 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 178.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.449 ' HA2' ' CG ' ' A' ' 26' ' ' MET . . . 147.82 -164.23 28.84 Favored Glycine 0 N--CA 1.441 -0.99 0 C-N-CA 121.149 -0.548 . . . . 0.0 111.88 179.298 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.68 ' HD1' ' HG3' ' A' ' 26' ' ' MET . 15.8 p90 -152.43 43.35 0.67 Allowed 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 175.39 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -80.51 51.86 1.54 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 113.948 -1.478 . . . . 0.0 110.444 -170.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 . . . . . 0 N--CA 1.449 -0.491 0 C-N-CA 123.408 0.683 . . . . 0.0 111.779 -179.659 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.589 ' HG3' ' H ' ' A' ' 6' ' ' SER . 27.2 ptm . . . . . 0 CA--C 1.531 0.246 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -60.45 -29.67 69.17 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.864 0.364 . . . . 0.0 110.935 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.624 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 4.9 m -75.23 12.89 0.81 Allowed 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.575 -177.725 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -68.8 -8.03 39.6 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.6 m-30 -73.24 -170.33 0.76 Allowed 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 175.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.27 -46.43 65.86 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.205 0.526 . . . . 0.0 111.558 -177.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.6 t -130.36 -10.64 4.12 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.402 171.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.624 ' HA3' ' HA ' ' A' ' 6' ' ' SER . . . 86.02 -12.92 58.75 Favored Glycine 0 C--N 1.336 0.564 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 -175.169 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -69.93 -24.15 63.32 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 123.013 0.525 . . . . 0.0 111.719 -176.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.9 m -50.86 -35.41 32.49 Favored 'General case' 0 N--CA 1.439 -1.017 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -176.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -58.02 -54.61 45.03 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.897 0.856 . . . . 0.0 109.667 175.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.554 ' O ' ' HG3' ' A' ' 19' ' ' ARG . . . -61.56 -32.32 72.4 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 113.754 -1.566 . . . . 0.0 111.833 -178.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 19' ' ' ARG . 45.9 tp -73.86 -48.68 29.4 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.232 178.177 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -60.45 -53.89 52.12 Favored 'General case' 0 CA--C 1.514 -0.418 0 O-C-N 123.352 0.408 . . . . 0.0 110.975 -177.058 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.419 ' HB ' HD23 ' A' ' 22' ' ' LEU . 35.7 m -54.53 -29.48 20.46 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.668 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -177.237 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.554 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 56.4 mtp180 -55.23 -37.76 67.61 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 177.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.1 -24.98 62.41 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -175.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.3 m -103.79 -17.72 14.95 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 122.35 -0.219 . . . . 0.0 110.974 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.495 HD22 HD12 ' A' ' 75' ' ' ILE . 0.9 OUTLIER -77.49 66.08 3.15 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.666 ' HG2' ' HE2' ' A' ' 26' ' ' MET . 2.4 pt20 -75.22 161.82 75.53 Favored Pre-proline 0 N--CA 1.444 -0.738 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.641 176.1 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -56.5 103.77 0.13 Allowed 'Trans proline' 0 C--O 1.24 0.616 0 C-N-CA 122.156 1.904 . . . . 0.0 111.321 171.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 130.44 -3.5 5.83 Favored Glycine 0 C--N 1.315 -0.637 0 N-CA-C 111.707 -0.557 . . . . 0.0 111.707 -177.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.666 ' HE2' ' HG2' ' A' ' 23' ' ' GLN . 23.9 mmt -90.26 110.22 21.28 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.145 0.497 . . . . 0.0 111.266 179.105 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.434 ' HD2' ' OE1' ' A' ' 60' ' ' GLU . 26.2 mtm180 -71.51 148.17 47.02 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.751 0.786 . . . . 0.0 110.757 174.189 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.56 ' HB ' ' HB2' ' A' ' 73' ' ' LEU . 35.8 m -124.68 157.15 32.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.494 -176.214 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -127.92 130.29 48.23 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.13 0.491 . . . . 0.0 110.613 176.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.486 ' SD ' ' HB3' ' A' ' 72' ' ' MET . 13.6 tpt -72.19 120.13 17.36 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.102 -176.658 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.642 HD21 ' HB2' ' A' ' 74' ' ' GLU . 95.7 mt -84.13 -33.33 24.32 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.54 -176.511 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.437 ' O ' ' HG3' ' A' ' 30' ' ' MET . 37.1 t70 -123.64 157.99 32.55 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.393 -176.277 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.555 ' HA ' ' HA ' ' A' ' 38' ' ' SER . 5.8 p-10 -82.83 134.73 35.09 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -157.96 108.07 2.14 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.068 -176.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 63.0 -118.86 0.55 Allowed 'General case' 0 C--N 1.322 -0.598 0 O-C-N 124.32 1.012 . . . . 0.0 110.963 175.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -73.61 -25.96 60.56 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.415 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 23.5 mm -99.91 150.81 5.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 O-C-N 123.543 0.527 . . . . 0.0 111.04 -173.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.555 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 60.0 p -132.55 172.36 12.61 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -176.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.23 128.47 35.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.016 0.436 . . . . 0.0 110.72 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.66 -20.65 33.9 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.254 -0.974 . . . . 0.0 113.462 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -61.56 136.75 58.13 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.969 0.384 . . . . 0.0 110.629 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -109.85 147.01 34.1 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 120.961 0.41 . . . . 0.0 110.023 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.465 ' HA2' ' HG3' ' A' ' 60' ' ' GLU . . . -153.71 171.28 32.47 Favored Glycine 0 C--O 1.218 -0.897 0 C-N-CA 119.895 -1.145 . . . . 0.0 112.727 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -106.12 139.21 40.99 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 178.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -84.76 117.34 23.77 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -179.196 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.552 ' HD2' ' HB2' ' A' ' 58' ' ' PHE . 47.3 mtp85 -91.24 -51.19 5.43 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 119.929 -0.708 . . . . 0.0 110.648 179.12 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 175.46 171.38 0.32 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.673 0.789 . . . . 0.0 109.459 178.197 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.469 ' HA ' ' HA ' ' A' ' 55' ' ' VAL . 9.1 p -116.75 155.94 28.04 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -179.087 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.41 ' C ' ' H ' ' A' ' 51' ' ' GLY . 79.9 m-20 -84.67 115.71 22.81 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 70.39 -9.62 0.75 Allowed 'General case' 0 C--O 1.237 0.401 0 C-N-CA 123.577 0.751 . . . . 0.0 111.163 -178.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.41 ' H ' ' C ' ' A' ' 49' ' ' ASN . . . 87.25 26.64 30.24 Favored Glycine 0 N--CA 1.437 -1.246 0 C-N-CA 120.49 -0.862 . . . . 0.0 111.33 177.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 1.113 ' HB ' ' HD2' ' A' ' 53' ' ' PRO . 13.2 m -117.44 -175.35 0.31 Allowed Pre-proline 0 N--CA 1.45 -0.465 0 CA-C-O 118.76 -0.638 . . . . 0.0 109.806 -179.122 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 1.113 ' HD2' ' HB ' ' A' ' 52' ' ' VAL . 2.9 Cg_exo -33.92 -49.1 0.55 Allowed 'Trans proline' 0 C--N 1.369 1.65 0 C-N-CA 124.005 3.137 . . . . 0.0 116.141 -179.728 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.567 ' HD2' HG23 ' A' ' 52' ' ' VAL . 16.2 Cg_endo -60.32 116.94 3.67 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 121.394 1.396 . . . . 0.0 112.584 174.426 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.503 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 13.7 p -129.54 139.88 50.55 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.414 -177.046 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -100.62 115.98 31.47 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -177.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.6 t -124.01 131.11 73.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 O-C-N 124.243 0.964 . . . . 0.0 110.913 -173.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.552 ' HB2' ' HD2' ' A' ' 46' ' ' ARG . 79.4 t80 -88.05 117.96 27.28 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 176.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.437 ' HZ2' HG21 ' A' ' 68' ' ' VAL . 98.9 m95 -94.44 118.95 32.43 Favored 'General case' 0 C--N 1.31 -1.142 0 C-N-CA 120.326 -0.55 . . . . 0.0 111.456 -175.168 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.465 ' HG3' ' HA2' ' A' ' 43' ' ' GLY . 32.1 mt-10 -68.76 -47.37 66.39 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 124.552 1.157 . . . . 0.0 111.089 -173.042 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.7 p -61.66 -33.18 73.5 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.611 -176.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.9 m -85.4 -61.11 1.84 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.275 0.56 . . . . 0.0 110.138 176.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.04 11.65 12.12 Favored Glycine 0 C--N 1.31 -0.863 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.731 -177.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -132.33 155.49 48.29 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.45 ' HA ' ' HA ' ' A' ' 58' ' ' PHE . 19.4 m -92.97 148.34 22.08 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.831 177.61 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -150.24 147.72 28.02 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 122.03 -0.419 . . . . 0.0 110.881 -173.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.503 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 5.0 m-90 -90.14 117.6 29.03 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 175.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.448 HG12 ' H ' ' A' ' 69' ' ' HIS . 0.7 OUTLIER -119.02 -175.21 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.919 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.508 ' HB2' ' SD ' ' A' ' 72' ' ' MET . 28.1 m-70 -105.28 139.81 39.37 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 170.463 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.552 ' HD1' ' HA ' ' A' ' 53' ' ' PRO . 86.5 m95 -47.13 -39.62 13.85 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 -176.526 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 -75.41 0.17 17.9 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.445 -0.502 . . . . 0.0 112.226 -174.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.508 ' SD ' ' HB2' ' A' ' 69' ' ' HIS . 0.8 OUTLIER -83.75 -28.7 28.02 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-O 121.21 0.529 . . . . 0.0 111.064 174.43 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.56 ' HB2' ' HB ' ' A' ' 28' ' ' VAL . 3.6 pp -105.42 146.84 28.94 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 121.209 0.528 . . . . 0.0 112.071 -171.207 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.642 ' HB2' HD21 ' A' ' 31' ' ' LEU . 43.2 tt0 -104.64 143.09 33.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 113.963 -1.471 . . . . 0.0 108.766 174.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.495 HD12 HD22 ' A' ' 22' ' ' LEU . 5.7 tt -91.48 109.18 20.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.092 0.472 . . . . 0.0 111.361 -176.2 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -94.67 -33.22 13.04 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 172.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.72 -174.04 36.64 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-N 114.912 -1.04 . . . . 0.0 113.831 174.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.428 ' C ' ' H ' ' A' ' 80' ' ' GLU . 44.9 t80 -148.49 126.89 12.29 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 175.609 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 72.75 -18.84 0.33 Allowed 'General case' 0 N--CA 1.467 0.408 0 O-C-N 124.366 1.041 . . . . 0.0 111.584 -178.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.513 ' HB2' ' CE ' ' A' ' 26' ' ' MET . 25.8 tp10 . . . . . 0 N--CA 1.444 -0.751 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 174.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.509 ' HB2' ' HG2' ' A' ' 7' ' ' GLU . 24.2 mmt . . . . . 0 CA--C 1.516 -0.358 0 CA-C-O 121.325 0.583 . . . . 0.0 111.091 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.402 ' O ' ' HA2' ' A' ' 11' ' ' GLY . 22.8 mtm180 -64.14 -34.05 77.17 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.542 0.687 . . . . 0.0 109.585 173.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 m -74.28 7.44 2.8 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 114.725 -1.125 . . . . 0.0 112.489 -175.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.509 ' HG2' ' HB2' ' A' ' 4' ' ' MET . 7.1 mm-40 -75.55 -12.13 60.16 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.934 0.873 . . . . 0.0 109.897 176.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.632 ' HB3' ' HB ' ' A' ' 13' ' ' THR . 62.7 m-85 -109.59 173.46 6.31 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 172.69 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.17 -48.26 80.84 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 123.677 0.611 . . . . 0.0 112.609 -170.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.7 m -107.84 4.23 25.25 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -172.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 5' ' ' ARG . . . 81.89 -57.91 4.93 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.629 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -62.93 -26.98 69.07 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 175.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.632 ' HB ' ' HB3' ' A' ' 8' ' ' PHE . 2.0 m -51.87 -27.57 13.2 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.011 176.388 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -63.64 -54.87 28.96 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.544 175.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.416 ' HA ' HG22 ' A' ' 18' ' ' VAL . . . -65.42 -22.34 66.76 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 122.7 0.4 . . . . 0.0 111.423 176.523 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.7 tp -72.23 -43.56 64.23 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -61.04 -48.22 82.77 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.876 -178.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.554 ' O ' ' HB3' ' A' ' 22' ' ' LEU . 28.4 m -61.07 -38.73 80.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.285 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -42.45 95.73 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 122.085 0.945 . . . . 0.0 109.626 175.63 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -64.59 -54.95 23.97 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.875 -176.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.8 m -90.92 -39.3 12.35 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -171.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.554 ' HB3' ' O ' ' A' ' 18' ' ' VAL . 54.3 tp -79.17 99.3 6.93 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.749 0.785 . . . . 0.0 109.852 -176.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.415 ' H ' ' HE2' ' A' ' 26' ' ' MET . 80.1 mt-30 -88.21 164.22 34.01 Favored Pre-proline 0 C--N 1.313 -1.012 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.746 -177.402 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.688 ' HA ' ' CD1' ' A' ' 45' ' ' PHE . 7.9 Cg_exo -71.05 99.62 0.9 Allowed 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.574 2.183 . . . . 0.0 112.299 178.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 147.69 -32.16 1.34 Allowed Glycine 0 C--O 1.222 -0.595 0 CA-C-N 115.65 -0.705 . . . . 0.0 112.127 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.415 ' HE2' ' H ' ' A' ' 23' ' ' GLN . 69.1 mtm -76.51 160.83 29.13 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.38 0.61 . . . . 0.0 112.567 -177.179 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.608 ' HG2' HD21 ' A' ' 76' ' ' LEU . 21.9 ttm105 -80.46 146.77 31.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.967 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.411 HG21 HG11 ' A' ' 57' ' ' VAL . 23.8 m -124.79 151.02 29.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-O 121.757 0.789 . . . . 0.0 109.277 -178.131 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.516 ' CZ ' ' HA2' ' A' ' 40' ' ' GLY . 2.7 tmt_? -117.14 126.98 53.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.045 177.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.567 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . 12.6 tpt -80.23 109.78 15.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.056 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.567 ' CD2' ' HB2' ' A' ' 74' ' ' GLU . 0.3 OUTLIER -96.38 4.81 51.97 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -175.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.483 ' HB3' ' SD ' ' A' ' 72' ' ' MET . 2.1 t0 -145.45 170.0 17.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 121.913 -0.492 . . . . 0.0 111.445 -176.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -102.02 126.57 48.98 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -156.0 99.24 1.95 Allowed 'General case' 0 C--O 1.22 -0.452 0 C-N-CA 120.037 -0.665 . . . . 0.0 111.552 -176.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 55.57 -105.57 0.28 Allowed 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 114.835 -1.075 . . . . 0.0 112.258 172.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -64.35 -36.05 82.88 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.897 -177.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.515 HG22 ' HG2' ' A' ' 30' ' ' MET . 25.6 mm -109.96 153.97 11.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-O 121.217 0.532 . . . . 0.0 109.978 -171.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.8 t -125.3 164.6 20.01 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.092 -177.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.52 130.3 43.18 Favored 'General case' 0 C--O 1.249 1.047 0 CA-C-O 120.879 0.371 . . . . 0.0 110.256 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.516 ' HA2' ' CZ ' ' A' ' 29' ' ' ARG . . . 107.09 -14.43 40.41 Favored Glycine 0 N--CA 1.431 -1.693 0 C-N-CA 121.214 -0.517 . . . . 0.0 112.566 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -71.29 151.7 43.97 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.993 -0.71 . . . . 0.0 110.309 176.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -129.7 155.79 45.33 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.285 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.557 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -160.82 -174.88 31.21 Favored Glycine 0 N--CA 1.434 -1.477 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.591 -178.73 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -123.6 141.4 52.05 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 124.294 0.644 . . . . 0.0 109.609 -177.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.688 ' CD1' ' HA ' ' A' ' 24' ' ' PRO . 7.0 t80 -82.28 115.18 21.23 Favored 'General case' 0 C--O 1.244 0.793 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -174.138 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -84.27 -53.54 5.41 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 121.679 -0.638 . . . . 0.0 110.328 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -173.2 164.93 4.84 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.284 -176.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.526 ' HB3' ' HZ ' ' A' ' 45' ' ' PHE . 21.4 p -132.51 163.87 27.86 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 120.761 0.315 . . . . 0.0 110.291 -178.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -83.51 129.27 34.97 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 174.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -78.95 11.02 2.91 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.879 -1.055 . . . . 0.0 113.084 -167.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -154.54 -22.68 0.04 OUTLIER Glycine 0 C--N 1.339 0.725 0 C-N-CA 120.123 -1.037 . . . . 0.0 112.923 177.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.481 HG23 ' HG2' ' A' ' 54' ' ' PRO . 16.1 m -118.7 159.13 45.42 Favored Pre-proline 0 N--CA 1.444 -0.768 0 O-C-N 122.477 -0.425 . . . . 0.0 111.282 -178.176 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.561 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 52.3 Cg_exo -50.45 -49.4 16.65 Favored 'Trans proline' 0 CA--C 1.549 1.245 0 C-N-CA 124.171 3.248 . . . . 0.0 115.11 -174.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 0.9 OUTLIER -42.42 123.79 2.91 Favored 'Trans proline' 0 C--N 1.366 1.471 0 C-N-CA 122.949 2.433 . . . . 0.0 113.858 -175.076 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.635 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 5.6 p -129.29 137.25 57.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.582 179.681 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -96.66 107.49 19.94 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.815 0.341 . . . . 0.0 110.594 -174.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.411 HG11 HG21 ' A' ' 28' ' ' VAL . 72.8 t -122.26 136.58 58.66 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.172 0 CA-C-N 116.74 -0.209 . . . . 0.0 110.498 -178.674 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -93.83 116.82 29.32 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 176.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.567 ' CZ3' ' HB2' ' A' ' 30' ' ' MET . 98.2 m95 -90.21 110.36 21.4 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 121.729 0.776 . . . . 0.0 110.631 -177.012 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.545 ' HG3' ' HA2' ' A' ' 43' ' ' GLY . 41.1 mt-10 -73.31 -34.17 65.56 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.057 -170.649 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 45.5 t -62.75 -33.62 75.53 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.639 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.5 m -96.88 -48.84 5.28 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.27 -178.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.77 19.52 9.62 Favored Glycine 0 N--CA 1.451 -0.315 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 178.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -132.17 148.56 52.47 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 122.419 -0.459 . . . . 0.0 110.447 -177.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.94 142.62 32.28 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.606 171.298 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -148.74 146.29 28.02 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.635 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 24.1 m-90 -92.62 114.53 27.11 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 176.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.566 HG12 ' H ' ' A' ' 69' ' ' HIS . 1.0 OUTLIER -101.64 -156.39 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.306 -1.306 0 C-N-CA 123.723 0.809 . . . . 0.0 109.795 -172.26 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.566 ' H ' HG12 ' A' ' 68' ' ' VAL . 73.5 m-70 -137.88 135.52 36.22 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 -170.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -48.74 -50.25 34.62 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 26.5 p80 -68.29 -11.11 58.9 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.69 -0.631 . . . . 0.0 111.658 -177.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.483 ' SD ' ' HB3' ' A' ' 32' ' ' ASP . 47.9 tpp -95.51 -10.94 28.35 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -176.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.1 mt -103.94 132.83 49.81 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 120.891 -0.324 . . . . 0.0 111.551 -173.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.567 ' HB2' ' CD2' ' A' ' 31' ' ' LEU . 37.6 tt0 -109.04 145.63 35.28 Favored 'General case' 0 C--O 1.225 -0.211 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 171.317 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.8 tt -107.14 121.65 60.26 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.127 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.712 -179.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.927 HD12 ' HB2' ' A' ' 79' ' ' GLU . 0.5 OUTLIER -87.23 -18.37 30.43 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 119.991 -0.683 . . . . 0.0 110.614 178.238 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.62 76.94 0.8 Allowed Glycine 0 CA--C 1.508 -0.381 0 C-N-CA 120.141 -1.028 . . . . 0.0 111.685 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 63.39 -90.31 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.275 0.63 . . . . 0.0 112.176 -176.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.927 ' HB2' HD12 ' A' ' 76' ' ' LEU . 32.4 mt-10 43.25 59.43 2.96 Favored 'General case' 0 C--O 1.247 0.94 0 CA-C-O 121.731 0.777 . . . . 0.0 111.557 -176.2 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 . . . . . 0 C--N 1.329 -0.309 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -176.332 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 79.8 mtp . . . . . 0 C--O 1.214 -0.793 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.459 ' HD2' ' HA ' ' A' ' 5' ' ' ARG . 20.0 tpt180 -67.35 -30.02 69.72 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.641 0.734 . . . . 0.0 110.313 177.153 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.637 ' O ' ' HA2' ' A' ' 11' ' ' GLY . 19.8 m -81.92 14.78 2.56 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.433 178.576 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -76.65 14.91 0.71 Allowed 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -177.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.424 ' HB3' ' HB ' ' A' ' 13' ' ' THR . 62.0 m-85 -57.32 -179.78 0.04 OUTLIER 'General case' 0 C--O 1.243 0.76 0 CA-C-O 120.773 0.321 . . . . 0.0 111.269 178.61 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -45.94 -45.52 15.56 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.726 0.811 . . . . 0.0 113.016 -169.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.5 t -127.15 11.69 7.04 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.29 0.567 . . . . 0.0 109.832 176.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.637 ' HA2' ' O ' ' A' ' 6' ' ' SER . . . 77.48 -49.94 3.11 Favored Glycine 0 CA--C 1.51 -0.231 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.399 -178.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.7 p30 -58.5 -24.4 60.39 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 177.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.424 ' HB ' ' HB3' ' A' ' 8' ' ' PHE . 2.8 m -55.6 -29.53 59.28 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 120.754 0.312 . . . . 0.0 110.926 175.282 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -61.99 -42.61 99.33 Favored 'General case' 0 C--O 1.213 -0.826 0 CA-C-O 121.135 0.493 . . . . 0.0 109.987 176.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.77 -31.24 72.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.826 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 68.3 tp -73.72 -45.33 52.78 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 121.259 0.552 . . . . 0.0 110.215 177.035 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -56.15 -53.94 51.14 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.885 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.41 HG12 HD13 ' A' ' 75' ' ' ILE . 22.3 m -63.79 -43.31 97.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -178.26 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -69.53 -22.65 63.56 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 118.151 0.432 . . . . 0.0 111.046 -176.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -66.39 -44.96 81.64 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.777 178.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.2 t -94.03 -28.47 15.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.676 -175.083 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.644 HD22 HG22 ' A' ' 75' ' ' ILE . 16.9 tp -77.54 97.64 5.1 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.477 0.656 . . . . 0.0 111.037 -174.408 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -93.09 154.75 41.63 Favored Pre-proline 0 N--CA 1.446 -0.636 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.521 178.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -49.18 120.77 5.96 Favored 'Trans proline' 0 C--O 1.246 0.878 0 C-N-CA 122.948 2.432 . . . . 0.0 111.81 173.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.65 -12.01 20.96 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.643 -0.789 . . . . 0.0 111.798 -176.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.459 ' SD ' ' HA2' ' A' ' 77' ' ' GLY . 49.2 mtt -89.1 123.27 33.22 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.322 0.582 . . . . 0.0 111.312 172.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 37.9 mtm180 -77.43 149.02 35.15 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.986 0.898 . . . . 0.0 111.804 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.9 m -122.08 161.75 22.46 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.519 0 CA-C-N 114.452 -1.249 . . . . 0.0 111.991 -177.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.453 ' HB2' HD21 ' A' ' 76' ' ' LEU . 45.0 ttm-85 -123.09 136.68 54.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.179 176.134 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.545 ' HG2' HG22 ' A' ' 37' ' ' ILE . 15.0 tpt -89.07 125.75 35.15 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.913 -0.492 . . . . 0.0 110.42 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 31' ' ' LEU . 4.1 mm? -112.7 -3.58 14.23 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.371 -175.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -124.0 163.55 21.17 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 118.209 0.459 . . . . 0.0 110.52 -176.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -88.59 118.87 28.55 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 176.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.45 ' HB2' ' CE ' ' A' ' 30' ' ' MET . 5.9 t80 -127.49 178.97 5.74 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.441 -174.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 1.4 mp0 -70.03 91.72 0.7 Allowed 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.795 -176.414 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.472 ' HB2' ' O ' ' A' ' 35' ' ' GLU . 42.7 mt-10 95.84 -26.61 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.574 0 O-C-N 124.91 1.381 . . . . 0.0 110.153 175.102 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.545 HG22 ' HG2' ' A' ' 30' ' ' MET . 42.5 mm -97.78 144.95 10.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 177.576 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.7 m -132.35 174.87 9.8 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 -175.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.3 131.86 46.58 Favored 'General case' 0 N--CA 1.436 -1.131 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.106 -178.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.5 -18.76 37.77 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.762 178.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -63.16 136.89 58.02 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 117.518 0.659 . . . . 0.0 110.939 177.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 42.0 mt-10 -104.63 142.32 34.88 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.942 176.241 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -143.14 162.2 27.55 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 119.578 -1.296 . . . . 0.0 112.371 -178.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -103.03 135.76 44.12 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -88.78 114.12 25.06 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 -177.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -83.54 -56.43 3.74 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.453 -177.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -178.35 172.54 1.49 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.843 -172.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.5 m -125.89 148.43 49.19 Favored 'General case' 0 C--O 1.248 1.003 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -171.99 178.96 2.81 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 123.579 0.549 . . . . 0.0 111.174 -177.022 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 74.57 -19.19 0.38 Allowed 'General case' 0 CA--C 1.521 -0.164 0 O-C-N 123.976 0.798 . . . . 0.0 112.002 177.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.88 -63.09 0.57 Allowed Glycine 0 C--O 1.236 0.237 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.831 171.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.72 ' HB ' ' HD2' ' A' ' 53' ' ' PRO . 5.8 m -65.35 166.04 15.45 Favored Pre-proline 0 C--O 1.221 -0.402 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -175.414 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.72 ' HD2' ' HB ' ' A' ' 52' ' ' VAL . 2.1 Cg_endo -40.01 -40.87 2.82 Favored 'Trans proline' 0 CA--C 1.546 1.108 0 C-N-CA 124.446 3.43 . . . . 0.0 117.936 -175.264 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.578 ' HG2' HG23 ' A' ' 52' ' ' VAL . 3.9 Cg_endo -44.8 142.32 5.16 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 121.58 1.52 . . . . 0.0 114.352 178.363 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.685 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 12.6 p -133.14 141.31 45.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-N 114.174 -1.375 . . . . 0.0 108.697 -174.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.416 ' HA ' ' OE1' ' A' ' 56' ' ' GLN . 6.1 tp60 -92.32 108.13 19.73 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.422 -176.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 98.9 t -124.87 136.53 60.51 Favored 'Isoleucine or valine' 0 C--O 1.241 0.635 0 CA-C-O 121.395 0.616 . . . . 0.0 110.4 -175.114 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.427 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 82.3 t80 -93.2 118.76 31.61 Favored 'General case' 0 N--CA 1.44 -0.933 0 O-C-N 121.865 -0.522 . . . . 0.0 110.645 175.719 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.522 ' HZ2' HG21 ' A' ' 68' ' ' VAL . 95.6 m95 -95.74 114.36 26.09 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.118 0.485 . . . . 0.0 109.807 -178.075 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 8.5 pt-20 -72.82 -29.82 63.55 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.976 -170.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.2 p -61.95 -35.42 78.4 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 124.055 0.847 . . . . 0.0 111.703 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.7 p -104.25 -25.66 12.8 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.66 178.228 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.24 16.91 65.83 Favored Glycine 0 CA--C 1.521 0.424 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.855 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -117.46 143.0 46.47 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-O 120.956 0.407 . . . . 0.0 110.807 -176.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 58' ' ' PHE . 16.3 p -83.85 143.25 30.04 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.005 169.412 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.412 ' HE2' ' CE2' ' A' ' 34' ' ' TYR . 27.3 t80 -153.95 147.69 25.32 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.433 0.159 . . . . 0.0 111.116 -177.63 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.685 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 24.5 m-90 -91.17 115.03 27.7 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 179.48 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.536 HG12 ' H ' ' A' ' 69' ' ' HIS . 2.0 t -116.87 -179.61 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -177.585 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.599 ' O ' ' HG2' ' A' ' 72' ' ' MET . 14.8 m-70 -109.18 138.35 45.66 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.634 175.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 64.9 m95 -51.33 -38.9 55.5 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -177.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -69.67 -4.88 21.45 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -168.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.599 ' HG2' ' O ' ' A' ' 69' ' ' HIS . 5.1 ptm -120.42 11.91 11.53 Favored 'General case' 0 C--O 1.24 0.577 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.953 -177.189 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.8 mp -117.0 145.5 43.63 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.125 0.488 . . . . 0.0 110.231 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -102.43 139.61 37.8 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 172.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.644 HG22 HD22 ' A' ' 22' ' ' LEU . 21.8 pt -99.08 130.44 48.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -176.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.453 HD21 ' HB2' ' A' ' 29' ' ' ARG . 3.7 mm? -98.46 -9.04 25.71 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.378 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.459 ' HA2' ' SD ' ' A' ' 26' ' ' MET . . . 66.46 -151.01 52.17 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.194 -178.132 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.415 ' HB2' ' HG2' ' A' ' 26' ' ' MET . 72.0 t80 -153.5 -55.88 0.12 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 117.352 0.576 . . . . 0.0 110.693 176.447 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -83.01 -22.09 33.7 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 . . . . . 0 C--N 1.312 -1.03 0 C-N-CA 124.145 0.978 . . . . 0.0 111.053 -177.301 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.584 ' O ' ' HG3' ' A' ' 7' ' ' GLU . 1.5 pmm? . . . . . 0 C--O 1.218 -0.578 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.441 ' HA ' ' HD2' ' A' ' 5' ' ' ARG . 20.3 tpt180 -57.76 -25.91 61.13 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.425 -179.639 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.754 ' O ' ' HA2' ' A' ' 11' ' ' GLY . 15.7 m -66.51 16.86 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -177.355 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.584 ' HG3' ' O ' ' A' ' 4' ' ' MET . 50.0 mt-10 -67.95 16.42 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 179.452 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.416 ' H ' ' C ' ' A' ' 6' ' ' SER . 66.0 m-85 -76.27 178.49 6.43 Favored 'General case' 0 C--O 1.245 0.831 0 O-C-N 121.939 -0.476 . . . . 0.0 111.518 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.98 -47.77 67.95 Favored 'General case' 0 C--O 1.241 0.635 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -171.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.3 m -106.87 -1.24 22.62 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 178.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.754 ' HA2' ' O ' ' A' ' 6' ' ' SER . . . 75.82 -60.41 2.97 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-O 121.324 0.402 . . . . 0.0 112.598 -177.457 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.4 p30 -59.3 -23.44 62.44 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 123.257 0.623 . . . . 0.0 111.969 177.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 m -51.35 -33.46 29.64 Favored 'General case' 0 C--N 1.343 0.302 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -177.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -62.4 -43.46 98.77 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' ' 19' ' ' ARG . . . -67.77 -25.33 65.55 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 114.801 -1.09 . . . . 0.0 111.134 178.405 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 36.1 tp -75.76 -49.66 17.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.162 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -56.97 -55.3 36.42 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.365 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.674 ' HB ' HD11 ' A' ' 75' ' ' ILE . 34.2 m -59.48 -35.89 61.42 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.508 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.794 -179.22 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 36.2 ttm180 -52.87 -40.68 63.63 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -179.094 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -63.36 -42.72 98.91 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 121.37 0.605 . . . . 0.0 111.009 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.1 m -79.42 -25.22 42.08 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.58 0.705 . . . . 0.0 110.69 -177.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.655 HD12 ' HB2' ' A' ' 26' ' ' MET . 30.1 tp -80.15 88.86 5.42 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-O 121.488 0.661 . . . . 0.0 110.984 -174.234 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.408 ' H ' ' HG3' ' A' ' 26' ' ' MET . 0.0 OUTLIER -94.51 158.58 35.33 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.72 173.256 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -53.23 115.58 2.38 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.054 1.836 . . . . 0.0 111.695 173.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.62 -17.67 10.18 Favored Glycine 0 N--CA 1.449 -0.446 0 O-C-N 123.681 0.613 . . . . 0.0 111.72 -176.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.655 ' HB2' HD12 ' A' ' 22' ' ' LEU . 17.3 mmt -71.11 133.7 46.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.157 0.503 . . . . 0.0 111.253 176.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.421 ' HA ' ' HA ' ' A' ' 44' ' ' GLU . 2.5 mpt_? -83.55 148.05 27.42 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.107 174.548 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.8 m -125.59 156.09 35.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -177.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -115.8 122.85 46.68 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 124.281 0.988 . . . . 0.0 109.45 177.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.504 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 9.9 tpt -74.57 119.23 18.48 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.641 HD11 ' HB2' ' A' ' 74' ' ' GLU . 96.2 mt -94.05 -18.62 21.64 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -174.26 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.429 ' O ' ' HE3' ' A' ' 30' ' ' MET . 15.8 t70 -133.38 154.52 50.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.59 -0.694 . . . . 0.0 110.25 -175.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -85.11 127.83 34.4 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.46 ' HB2' ' HE1' ' A' ' 72' ' ' MET . 87.0 t80 -149.32 100.34 3.01 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.35 0.595 . . . . 0.0 110.22 -173.537 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 47.91 -107.11 0.18 Allowed 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 114.316 -1.311 . . . . 0.0 112.473 -178.514 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -66.19 -33.7 76.35 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.816 -175.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.491 HG22 ' HG2' ' A' ' 30' ' ' MET . 18.0 mm -100.56 150.7 5.48 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 O-C-N 122.177 -0.327 . . . . 0.0 110.665 -172.078 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.7 m -122.95 166.71 14.62 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.653 -178.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.82 127.81 34.17 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.54 -19.13 39.96 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.879 -0.677 . . . . 0.0 113.134 -179.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -63.82 141.69 58.68 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 122.489 -0.418 . . . . 0.0 111.009 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -104.32 147.05 27.95 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.434 0.635 . . . . 0.0 111.094 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -151.52 -178.68 26.52 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.846 177.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.421 ' HA ' ' HA ' ' A' ' 27' ' ' ARG . 42.9 tt0 -130.78 147.4 52.44 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.902 0.382 . . . . 0.0 110.158 177.534 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.41 ' HE1' HG23 ' A' ' 55' ' ' VAL . 74.9 t80 -91.54 124.13 35.48 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -177.231 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.742 ' HD2' ' HB2' ' A' ' 58' ' ' PHE . 52.8 mtp85 -103.18 -44.17 5.27 Favored 'General case' 0 C--N 1.318 -0.794 0 O-C-N 123.486 0.491 . . . . 0.0 111.587 -177.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -178.32 169.08 1.86 Allowed 'General case' 0 C--O 1.234 0.285 0 O-C-N 124.056 0.847 . . . . 0.0 110.732 179.104 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.538 ' HB3' HG23 ' A' ' 55' ' ' VAL . 58.0 p -165.86 -173.1 2.56 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.865 -174.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -97.92 -170.85 2.05 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 176.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -60.17 -36.65 78.07 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.669 0.668 . . . . 0.0 112.618 -173.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.13 -11.24 0.04 OUTLIER Glycine 0 CA--C 1.526 0.729 0 C-N-CA 120.356 -0.926 . . . . 0.0 113.521 -175.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.627 HG12 ' HD2' ' A' ' 54' ' ' PRO . 25.9 t -57.45 138.88 81.14 Favored Pre-proline 0 CA--C 1.546 0.797 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 172.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -26.8 -52.75 0.1 Allowed 'Trans proline' 0 CA--C 1.558 1.717 1 C-N-CA 126.093 4.529 . . . . 0.0 116.738 -176.295 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.627 ' HD2' HG12 ' A' ' 52' ' ' VAL . 30.5 Cg_endo -62.3 113.99 2.15 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 121.214 1.276 . . . . 0.0 113.469 -172.173 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.565 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 7.9 p -125.72 134.85 65.66 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.81 176.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -98.15 113.18 25.0 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.317 0.579 . . . . 0.0 110.354 -175.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.0 t -119.36 131.86 70.82 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.549 -177.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.742 ' HB2' ' HD2' ' A' ' 46' ' ' ARG . 69.3 t80 -84.28 103.71 13.7 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.477 175.343 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.504 ' CH2' ' HB2' ' A' ' 30' ' ' MET . 99.1 m95 -85.99 116.61 24.32 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 -177.74 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.96 -12.22 59.73 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.283 0.564 . . . . 0.0 110.03 -174.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 31.4 t -67.43 -43.77 80.39 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.147 174.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.4 p -96.51 -21.34 17.76 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.502 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.01 28.86 48.63 Favored Glycine 0 CA--C 1.502 -0.722 0 C-N-CA 120.47 -0.871 . . . . 0.0 113.115 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -152.08 165.63 34.12 Favored 'General case' 0 C--O 1.242 0.665 0 O-C-N 122.471 -0.429 . . . . 0.0 111.423 -175.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.412 HG23 ' HD1' ' A' ' 58' ' ' PHE . 1.3 p -86.78 150.17 24.34 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.909 178.069 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.402 ' HB3' ' CD1' ' A' ' 59' ' ' TRP . 74.8 t80 -152.45 145.72 24.72 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.673 -179.027 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.565 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 27.0 m-90 -96.43 115.9 28.19 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-O 121.137 0.494 . . . . 0.0 109.831 178.342 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.441 ' O ' HG12 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -113.96 -178.32 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 -177.311 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.601 ' O ' ' HG2' ' A' ' 72' ' ' MET . 39.8 m-70 -98.55 133.41 42.95 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 173.065 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 83.9 m95 -44.41 -50.44 9.27 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -70.29 -0.09 7.39 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -167.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.601 ' HG2' ' O ' ' A' ' 69' ' ' HIS . 14.9 ptm -113.48 10.71 18.26 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.927 0.785 . . . . 0.0 113.074 -174.379 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.474 ' N ' HD13 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -130.26 159.58 36.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.348 0.594 . . . . 0.0 112.065 173.303 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.641 ' HB2' HD11 ' A' ' 31' ' ' LEU . 45.1 tt0 -112.12 157.13 21.18 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.079 -179.037 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.674 HD11 ' HB ' ' A' ' 18' ' ' VAL . 29.2 mm -85.61 123.4 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.441 -179.344 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.2 mt -99.84 -15.62 18.34 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 121.497 0.665 . . . . 0.0 109.886 172.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.651 ' HA2' ' SD ' ' A' ' 26' ' ' MET . . . 62.82 -142.76 48.07 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 114.857 -1.065 . . . . 0.0 112.482 178.037 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -112.05 16.3 20.28 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-O 121.09 0.472 . . . . 0.0 109.925 174.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -70.33 -28.51 65.21 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.926 173.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 . . . . . 0 C--N 1.318 -0.783 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.358 176.637 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.48 ' O ' HG22 ' A' ' 18' ' ' VAL . 46.3 t80 . . . . . 0 N--CA 1.438 -1.043 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.444 ' HA ' ' HB3' ' A' ' 70' ' ' TRP . . . -56.21 -35.78 67.71 Favored 'General case' 0 C--O 1.241 0.64 0 O-C-N 124.246 0.966 . . . . 0.0 111.511 174.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.4 tp -72.69 -46.41 53.9 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.609 0.719 . . . . 0.0 110.973 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -57.33 -55.18 38.14 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.332 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 14' ' ' TYR . 29.1 m -61.9 -44.26 98.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.63 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -54.4 -37.4 65.02 Favored 'General case' 0 C--O 1.209 -1.076 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -65.35 -42.29 93.0 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-O 121.023 0.44 . . . . 0.0 110.429 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.0 m -88.81 -29.33 19.82 Favored 'General case' 0 C--O 1.244 0.8 0 O-C-N 121.381 -0.824 . . . . 0.0 111.215 -175.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.43 ' C ' HE21 ' A' ' 23' ' ' GLN . 4.3 mm? -74.59 89.3 2.21 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.684 ' N ' HE21 ' A' ' 23' ' ' GLN . 0.0 OUTLIER -102.83 157.4 33.79 Favored Pre-proline 0 C--N 1.312 -1.033 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.794 173.31 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.464 ' HA ' ' O ' ' A' ' 45' ' ' PHE . 76.5 Cg_exo -48.09 113.59 0.86 Allowed 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.167 1.912 . . . . 0.0 112.169 175.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.06 -15.54 8.85 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.911 -176.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 22.5 mmt -77.15 125.8 29.91 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 121.309 0.576 . . . . 0.0 109.929 174.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -76.79 149.36 36.26 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-O 121.198 0.523 . . . . 0.0 110.007 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.1 m -134.83 155.84 38.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 -176.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.727 ' HB2' HD11 ' A' ' 76' ' ' LEU . 50.5 ttt85 -123.77 137.32 54.7 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.388 174.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.475 ' HG2' HG22 ' A' ' 37' ' ' ILE . 12.8 tpt -78.01 110.26 12.79 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.409 ' HB2' ' HB2' ' A' ' 74' ' ' GLU . 40.0 tp -89.17 -25.36 21.85 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.153 -1.385 . . . . 0.0 110.593 -171.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.442 ' O ' ' HG3' ' A' ' 30' ' ' MET . 19.8 t70 -120.32 154.46 34.99 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.543 ' OD1' ' HA ' ' A' ' 38' ' ' SER . 20.4 t70 -96.06 127.99 42.56 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 120.661 -0.416 . . . . 0.0 109.953 179.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -156.61 116.62 3.56 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 120.315 -0.554 . . . . 0.0 112.029 -170.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 60.85 -124.66 0.94 Allowed 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.577 1.151 . . . . 0.0 111.276 174.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -70.65 -24.7 62.76 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.9 0.857 . . . . 0.0 111.504 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.475 HG22 ' HG2' ' A' ' 30' ' ' MET . 27.4 mm -91.62 145.69 7.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -174.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.543 ' HA ' ' OD1' ' A' ' 33' ' ' ASP . 22.2 m -120.26 149.73 41.82 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.061 -176.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.05 129.79 43.53 Favored 'General case' 0 N--CA 1.446 -0.673 0 O-C-N 123.458 0.474 . . . . 0.0 111.203 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.44 -12.46 47.44 Favored Glycine 0 C--N 1.317 -0.515 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.619 -177.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -62.88 143.14 57.91 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -122.75 146.99 47.02 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.69 -171.23 27.48 Favored Glycine 0 N--CA 1.438 -1.22 0 C-N-CA 120.94 -0.647 . . . . 0.0 111.685 -174.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -123.11 148.85 45.22 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 -177.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.464 ' O ' ' HA ' ' A' ' 24' ' ' PRO . 22.0 t80 -86.86 113.82 22.99 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.552 0.691 . . . . 0.0 109.243 178.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.0 mmm180 -91.07 -50.48 5.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.221 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.521 ' HG3' ' HB3' ' A' ' 56' ' ' GLN . 4.3 pt20 -167.21 165.91 15.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.544 -177.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.5 ' HB3' HG23 ' A' ' 55' ' ' VAL . 25.3 p . . . . . 0 C--N 1.32 -0.685 0 CA-C-O 121.155 0.503 . . . . 0.0 111.341 178.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.543 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 6.9 Cg_endo . . . . . 0 CA--C 1.544 1.021 0 N-CA-C 116.145 1.556 . . . . 0.0 116.145 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 10.0 Cg_endo -54.75 124.8 17.1 Favored 'Trans proline' 0 C--N 1.368 1.56 0 C-N-CA 122.214 1.943 . . . . 0.0 114.183 -177.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.652 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 4.6 p -129.07 137.62 56.67 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.496 177.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.788 HE21 ' HA ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -92.45 107.2 19.03 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 -176.576 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.8 t -124.59 139.74 49.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.885 -177.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -97.24 118.55 33.92 Favored 'General case' 0 C--N 1.315 -0.891 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 176.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -94.73 122.75 37.66 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 121.65 0.738 . . . . 0.0 110.367 -177.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -70.16 -49.64 48.4 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 114.085 -1.416 . . . . 0.0 112.34 -171.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.8 p -66.09 -34.83 78.96 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.74 -171.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.1 p -83.26 -50.5 8.34 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.484 0.659 . . . . 0.0 109.782 176.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.5 21.79 18.45 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 -179.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -119.84 141.02 49.91 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 -178.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.9 m -85.79 137.09 33.03 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 170.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -143.15 146.29 33.59 Favored 'General case' 0 C--N 1.314 -0.955 0 O-C-N 123.308 0.38 . . . . 0.0 110.389 -171.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.652 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 8.8 m-90 -89.04 113.85 25.01 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 171.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.602 HG12 ' H ' ' A' ' 69' ' ' HIS . 1.4 t -104.23 -155.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.671 -171.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.602 ' H ' HG12 ' A' ' 68' ' ' VAL . 32.2 m-70 -138.28 133.99 33.77 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 -172.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.445 ' CD1' ' HA ' ' A' ' 53' ' ' PRO . 89.5 m95 -52.18 -45.37 65.11 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 -177.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.443 ' HA ' ' CD2' ' A' ' 14' ' ' TYR . 6.5 p80 -69.03 -11.38 60.74 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -173.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 20.1 ptp -112.1 13.06 20.6 Favored 'General case' 0 C--O 1.221 -0.43 0 O-C-N 121.679 -0.638 . . . . 0.0 111.549 -178.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.613 HD11 HG11 ' A' ' 55' ' ' VAL . 77.7 mt -99.78 128.28 45.88 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.445 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.484 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . 9.4 tp10 -100.05 125.66 46.14 Favored 'General case' 0 C--O 1.223 -0.341 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 173.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.6 tt -83.13 127.66 39.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.277 0.56 . . . . 0.0 111.927 -174.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.727 HD11 ' HB2' ' A' ' 29' ' ' ARG . 85.2 mt . . . . . 0 C--O 1.238 0.484 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 176.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.5 t80 . . . . . 0 N--CA 1.45 -0.437 0 CA-C-O 121.559 0.695 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.508 ' HA ' HG22 ' A' ' 18' ' ' VAL . . . -63.13 -29.99 71.23 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.523 178.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 36.5 tp -70.85 -44.82 65.63 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-O 121.705 0.764 . . . . 0.0 110.155 -178.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -64.69 -53.54 45.73 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 114.519 -1.218 . . . . 0.0 110.63 177.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.508 HG22 ' HA ' ' A' ' 15' ' ' ALA . 34.2 m -62.91 -44.83 99.86 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 O-C-N 123.429 0.455 . . . . 0.0 112.148 -175.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.448 ' HA ' ' CZ3' ' A' ' 70' ' ' TRP . 46.2 ptt85 -59.14 -25.74 64.15 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 118.48 0.582 . . . . 0.0 111.861 -178.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -87.62 -43.95 11.58 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.933 -0.479 . . . . 0.0 111.771 -177.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.2 m -82.97 -24.6 32.88 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.299 0.571 . . . . 0.0 111.952 -173.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.424 HD12 ' HB3' ' A' ' 26' ' ' MET . 19.1 tp -70.93 94.52 1.08 Allowed 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.178 0.513 . . . . 0.0 111.488 -176.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -80.69 152.37 72.29 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.689 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -57.02 110.96 0.67 Allowed 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.399 2.066 . . . . 0.0 111.429 176.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.17 -9.44 24.83 Favored Glycine 0 CA--C 1.519 0.333 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.99 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.424 ' HB3' HD12 ' A' ' 22' ' ' LEU . 47.2 ttm -76.15 134.81 39.84 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.368 0.604 . . . . 0.0 110.978 -178.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -74.91 150.02 39.27 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.189 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.5 m -134.37 157.32 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.119 -177.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.522 ' HB2' HD11 ' A' ' 76' ' ' LEU . 27.9 ttp-105 -126.67 143.79 51.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.607 177.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.4 tpt -87.06 141.08 28.92 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.168 177.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.406 ' N ' HD12 ' A' ' 31' ' ' LEU . 5.7 mp -94.98 -43.65 8.06 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-O 121.503 0.668 . . . . 0.0 111.337 -175.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -134.99 155.73 50.26 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 114.999 -1.001 . . . . 0.0 111.551 -176.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -74.28 135.1 42.61 Favored 'General case' 0 C--O 1.245 0.836 0 C-N-CA 122.377 0.271 . . . . 0.0 110.349 -175.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -155.6 98.82 1.98 Allowed 'General case' 0 C--O 1.244 0.779 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -171.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.504 ' HG2' ' HG3' ' A' ' 36' ' ' GLU . 42.3 tt0 69.47 -30.85 0.2 Allowed 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 165.303 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.504 ' HG3' ' HG2' ' A' ' 35' ' ' GLU . 37.1 mt-10 -163.46 -38.24 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 122.888 0.475 . . . . 0.0 110.312 -169.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.9 mm -101.4 150.06 6.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.304 -0.862 . . . . 0.0 108.932 -177.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.8 t -117.9 155.78 29.59 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.939 0.4 . . . . 0.0 110.28 -175.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.3 123.64 17.87 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.118 175.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.71 -13.49 50.23 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.874 -176.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -66.25 150.03 49.43 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 117.699 0.75 . . . . 0.0 110.39 175.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -129.65 150.08 51.13 Favored 'General case' 0 C--O 1.244 0.8 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.897 -177.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -158.08 -171.81 24.46 Favored Glycine 0 CA--C 1.501 -0.815 0 C-N-CA 120.648 -0.787 . . . . 0.0 111.851 -177.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -126.76 150.69 48.97 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.958 0.885 . . . . 0.0 109.379 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.572 ' HE1' ' HG ' ' A' ' 48' ' ' SER . 59.3 t80 -95.07 118.67 32.28 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.008 -179.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 54.8 mtp85 -107.94 -51.97 2.83 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.926 0.393 . . . . 0.0 111.694 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.417 ' O ' ' HB3' ' A' ' 56' ' ' GLN . 2.0 pt20 -159.76 148.36 17.49 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.21 -175.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.74 ' OG ' HG23 ' A' ' 55' ' ' VAL . 59.9 m . . . . . 0 N--CA 1.445 -0.723 0 CA-C-O 121.337 0.589 . . . . 0.0 111.729 -175.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.533 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 9.2 Cg_endo . . . . . 0 CA--C 1.551 1.333 0 N-CA-C 116.914 1.852 . . . . 0.0 116.914 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 11.7 Cg_endo -53.96 114.25 1.7 Allowed 'Trans proline' 0 C--N 1.368 1.583 0 C-N-CA 122.1 1.867 . . . . 0.0 114.132 -174.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.74 HG23 ' OG ' ' A' ' 48' ' ' SER . 2.3 p -118.9 127.82 75.76 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-N 115.131 -0.941 . . . . 0.0 108.858 176.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.417 ' HB3' ' O ' ' A' ' 47' ' ' GLN . 36.3 tt0 -93.17 112.95 25.04 Favored 'General case' 0 C--N 1.314 -0.975 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.615 -177.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 91.3 t -121.24 131.67 72.46 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.503 -177.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.414 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 71.5 t80 -88.66 113.42 24.2 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 175.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -91.03 111.53 23.03 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.218 -177.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -84.34 -25.58 29.09 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-O 121.226 0.536 . . . . 0.0 111.822 -170.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.9 p -69.39 -33.62 73.3 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.504 177.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.6 m -90.15 -54.36 4.06 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.489 0.662 . . . . 0.0 110.092 174.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.07 22.63 6.14 Favored Glycine 0 C--N 1.318 -0.453 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.41 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -137.35 148.91 46.62 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' A' ' 58' ' ' PHE . 2.1 m -84.97 145.62 27.64 Favored 'General case' 0 C--N 1.317 -0.827 0 O-C-N 123.487 0.492 . . . . 0.0 109.876 175.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -148.16 148.19 30.29 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 123.389 0.431 . . . . 0.0 110.322 -176.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.466 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 23.6 m-90 -95.77 116.04 28.31 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 174.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.441 HG12 ' H ' ' A' ' 69' ' ' HIS . 0.7 OUTLIER -109.41 -177.78 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 -175.388 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.698 ' O ' ' HG2' ' A' ' 72' ' ' MET . 55.3 m-70 -99.69 136.29 39.85 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 171.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.448 ' CZ3' ' HA ' ' A' ' 19' ' ' ARG . 91.0 m95 -49.22 -44.72 43.59 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -177.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.499 ' HB3' ' HB2' ' A' ' 15' ' ' ALA . 1.5 p-80 -67.69 -4.44 12.17 Favored 'General case' 0 C--O 1.213 -0.85 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -172.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.698 ' HG2' ' O ' ' A' ' 69' ' ' HIS . 12.7 ptm -117.77 21.09 13.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 118.597 0.635 . . . . 0.0 111.393 -178.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.508 HD11 HG11 ' A' ' 55' ' ' VAL . 95.7 mt -108.56 136.38 48.25 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 122.061 -0.399 . . . . 0.0 110.715 178.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.402 ' HG3' ' NH2' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -106.84 134.39 50.06 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 177.195 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.462 HD11 ' HA ' ' A' ' 18' ' ' VAL . 21.3 mt -95.58 135.32 30.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.851 0.357 . . . . 0.0 111.862 -175.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.522 HD11 ' HB2' ' A' ' 29' ' ' ARG . 8.9 mp . . . . . 0 N--CA 1.465 0.287 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 171.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.411 ' O ' HG13 ' A' ' 18' ' ' VAL . 77.6 t80 . . . . . 0 N--CA 1.451 -0.393 0 CA-C-O 121.478 0.656 . . . . 0.0 110.044 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.545 ' HB1' ' HB2' ' A' ' 70' ' ' TRP . . . -65.7 -34.66 78.72 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.549 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.527 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 4.2 pp -76.59 -26.36 54.96 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.529 0.68 . . . . 0.0 110.233 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -72.59 -53.56 11.56 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-O 121.181 0.515 . . . . 0.0 111.088 174.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.493 HG22 ' HA ' ' A' ' 15' ' ' ALA . 33.2 m -56.46 -32.24 35.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -176.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.527 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -65.84 -17.28 64.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.425 0.631 . . . . 0.0 111.402 -179.691 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -83.84 -40.01 19.22 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.897 0.856 . . . . 0.0 110.639 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.3 m -81.29 -41.28 22.38 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.901 -178.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.64 HD23 ' HB ' ' A' ' 75' ' ' ILE . 0.5 OUTLIER -83.08 98.73 9.46 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.938 0.875 . . . . 0.0 110.397 -177.791 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -90.11 161.57 37.5 Favored Pre-proline 0 C--O 1.238 0.476 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.845 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.424 ' HA ' ' CD2' ' A' ' 45' ' ' PHE . 62.0 Cg_exo -52.49 122.24 10.48 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.353 2.702 . . . . 0.0 111.811 177.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.73 -22.85 15.97 Favored Glycine 0 C--O 1.218 -0.88 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.804 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.485 ' HB2' HD13 ' A' ' 22' ' ' LEU . 42.1 mtt -76.09 148.97 37.52 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.139 0.495 . . . . 0.0 111.347 -177.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.534 ' HB3' HD23 ' A' ' 76' ' ' LEU . 20.8 mtt180 -82.61 159.36 22.73 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.865 0.84 . . . . 0.0 112.406 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.6 m -141.82 155.03 19.67 Favored 'Isoleucine or valine' 0 C--O 1.242 0.686 0 CA-C-N 114.538 -1.21 . . . . 0.0 111.295 -179.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 29' ' ' ARG . 13.7 ttp180 -124.87 132.29 53.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.933 0.397 . . . . 0.0 110.572 175.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.487 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 15.7 tpt -81.03 125.54 30.3 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.049 0.452 . . . . 0.0 111.106 -179.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.581 HD11 ' HB2' ' A' ' 74' ' ' GLU . 96.4 mt -94.1 -17.17 23.09 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -175.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -128.04 165.2 20.77 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 122.123 -0.36 . . . . 0.0 111.101 -175.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -84.83 124.23 31.35 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 174.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -146.95 92.82 2.18 Favored 'General case' 0 C--O 1.244 0.764 0 O-C-N 122.077 -0.389 . . . . 0.0 110.434 -174.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 59.74 -113.43 0.63 Allowed 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.143 178.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -75.57 -21.16 58.11 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.088 -176.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 26.2 mm -96.78 142.99 13.14 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-O 120.821 0.344 . . . . 0.0 110.315 -178.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.3 m -116.94 157.86 25.03 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.47 -178.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.31 125.75 24.9 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 176.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.21 -12.44 44.32 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.97 -0.633 . . . . 0.0 113.453 -177.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -64.85 146.77 54.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 117.528 0.664 . . . . 0.0 110.214 176.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -129.16 151.48 49.79 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 120.996 0.427 . . . . 0.0 110.269 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.405 ' O ' ' HG2' ' A' ' 27' ' ' ARG . . . -163.96 -171.35 30.1 Favored Glycine 0 N--CA 1.436 -1.357 0 C-N-CA 121.243 -0.503 . . . . 0.0 112.869 -178.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -120.43 143.83 48.27 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 110.537 -0.172 . . . . 0.0 110.537 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.424 ' CD2' ' HA ' ' A' ' 24' ' ' PRO . 56.5 t80 -86.05 115.16 23.47 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -179.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -83.4 -55.75 4.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.884 -177.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.464 HE21 ' HG2' ' A' ' 56' ' ' GLN . 4.8 pm0 -173.02 169.7 4.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.879 -175.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.6 p . . . . . 0 C--N 1.329 -0.325 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 -179.674 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.478 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 35.6 Cg_exo . . . . . 0 CA--C 1.543 0.973 0 N-CA-C 113.58 0.569 . . . . 0.0 113.58 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 34.5 Cg_endo -65.59 135.82 43.71 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 121.722 1.615 . . . . 0.0 111.695 176.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.501 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 7.4 p -129.28 140.37 49.36 Favored 'Isoleucine or valine' 0 C--O 1.246 0.915 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -177.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.464 ' HG2' HE21 ' A' ' 47' ' ' GLN . 21.4 tp60 -94.97 107.08 19.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.59 0.709 . . . . 0.0 109.828 -177.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 86.8 t -121.74 138.51 51.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.523 -176.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -93.33 112.1 23.94 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.648 174.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.487 ' CH2' ' HB2' ' A' ' 30' ' ' MET . 98.0 m95 -91.27 112.78 24.83 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -178.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -75.17 -31.36 60.96 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.022 -170.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.4 p -67.54 -35.1 78.41 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.83 0.824 . . . . 0.0 111.231 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.73 -50.9 7.21 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.459 0.647 . . . . 0.0 110.171 175.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.24 11.76 23.18 Favored Glycine 0 N--CA 1.44 -1.085 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.363 175.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.91 163.39 29.95 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 122.539 -0.389 . . . . 0.0 110.188 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.4 p -86.89 149.56 24.72 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.194 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -148.01 148.39 30.67 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 121.192 0.52 . . . . 0.0 109.817 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.501 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 13.4 m-90 -92.32 115.46 28.11 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 174.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.478 HG12 ' H ' ' A' ' 69' ' ' HIS . 2.2 t -113.65 179.91 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.478 ' H ' HG12 ' A' ' 68' ' ' VAL . 29.9 m-70 -102.67 136.14 43.05 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 168.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.545 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . 96.1 m95 -44.47 -46.52 9.71 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -173.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.43 ' HB3' ' HB2' ' A' ' 15' ' ' ALA . 3.1 p-80 -73.75 0.0 14.35 Favored 'General case' 0 C--O 1.221 -0.447 0 C-N-CA 119.813 -0.755 . . . . 0.0 113.034 -172.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.414 ' HB3' ' CE ' ' A' ' 30' ' ' MET . 15.8 mmt -84.33 -23.98 29.98 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-O 121.131 0.491 . . . . 0.0 111.694 178.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.3 pp -111.76 151.27 29.16 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-O 122.289 1.042 . . . . 0.0 111.081 -172.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.581 ' HB2' HD11 ' A' ' 31' ' ' LEU . 42.1 tt0 -99.21 139.91 34.17 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 113.85 -1.523 . . . . 0.0 108.666 175.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.64 ' HB ' HD23 ' A' ' 22' ' ' LEU . 32.2 pt -80.47 112.29 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.122 0 CA-C-O 121.139 0.495 . . . . 0.0 109.936 -178.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.534 HD23 ' HB3' ' A' ' 27' ' ' ARG . 35.2 tp . . . . . 0 C--N 1.317 -0.816 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.403 -175.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 78.2 t80 . . . . . 0 C--O 1.237 0.416 0 CA-C-O 121.382 0.611 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.431 ' HA ' HG22 ' A' ' 18' ' ' VAL . . . -63.36 -29.88 71.11 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.343 178.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.8 tp -73.73 -38.96 64.63 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.836 -179.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -65.23 -53.04 50.34 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.65 178.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.431 HG22 ' HA ' ' A' ' 15' ' ' ALA . 29.1 m -60.59 -37.64 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.285 -176.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -29.0 64.18 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 122.201 0.2 . . . . 0.0 110.733 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -74.89 -52.41 11.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.884 0.373 . . . . 0.0 111.943 -178.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.2 m -83.69 -32.23 25.67 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.005 0.431 . . . . 0.0 111.744 -173.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.494 ' HA ' ' SD ' ' A' ' 26' ' ' MET . 38.9 tp -68.34 96.56 0.67 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.947 0.404 . . . . 0.0 110.822 -176.128 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -93.32 167.24 14.46 Favored Pre-proline 0 N--CA 1.441 -0.914 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.945 176.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.433 ' HA ' ' O ' ' A' ' 45' ' ' PHE . 23.5 Cg_exo -62.81 130.88 30.89 Favored 'Trans proline' 0 C--O 1.237 0.472 0 C-N-CA 122.574 2.182 . . . . 0.0 110.896 175.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.31 -9.24 62.92 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.293 -0.956 . . . . 0.0 111.721 -178.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.494 ' SD ' ' HA ' ' A' ' 22' ' ' LEU . 52.0 ttm -83.64 132.27 34.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 122.332 -0.511 . . . . 0.0 110.231 179.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.4 mtm180 -81.13 148.78 29.44 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.26 0.552 . . . . 0.0 112.389 -176.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.48 HG21 HD23 ' A' ' 73' ' ' LEU . 30.7 m -133.24 159.21 43.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 114.465 -1.243 . . . . 0.0 110.353 -178.156 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 29' ' ' ARG . 13.8 ttp180 -120.32 129.23 53.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.101 174.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.545 ' HG2' HG22 ' A' ' 37' ' ' ILE . 11.9 tpt -75.38 121.33 22.1 Favored 'General case' 0 C--N 1.315 -0.891 0 N-CA-C 109.732 -0.469 . . . . 0.0 109.732 178.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.506 HD21 ' HB2' ' A' ' 74' ' ' GLU . 97.7 mt -92.37 -9.04 43.2 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 113.261 0.838 . . . . 0.0 113.261 -174.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -147.46 155.83 42.28 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 121.431 -0.793 . . . . 0.0 110.962 -177.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.609 ' HA ' ' HA ' ' A' ' 38' ' ' SER . 20.7 t70 -87.31 130.53 34.58 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.032 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -154.58 98.93 2.13 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.048 -171.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.444 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 16.9 mt-10 57.72 -1.04 0.08 Allowed 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 116.194 1.924 . . . . 0.0 116.194 166.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 35' ' ' GLU . 34.6 tt0 177.36 -42.96 0.01 OUTLIER 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 177.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.545 HG22 ' HG2' ' A' ' 30' ' ' MET . 25.9 mm -95.62 146.59 6.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.315 -178.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.609 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 49.8 m -123.03 160.69 25.8 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 120.875 0.369 . . . . 0.0 111.462 -173.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.04 124.31 20.15 Favored 'General case' 0 C--O 1.245 0.824 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.523 178.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.74 -14.47 45.79 Favored Glycine 0 C--N 1.335 0.526 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.614 -177.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.51 ' CG ' ' HB3' ' A' ' 61' ' ' SER . 6.6 t0 -64.68 140.27 58.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 122.075 -0.662 . . . . 0.0 109.329 175.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.529 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 46.3 mt-10 -110.9 145.68 37.88 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -178.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -150.16 174.65 29.52 Favored Glycine 0 N--CA 1.438 -1.188 0 C-N-CA 119.401 -1.38 . . . . 0.0 112.465 -173.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -122.68 142.36 50.77 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.433 ' O ' ' HA ' ' A' ' 24' ' ' PRO . 85.3 t80 -85.45 116.67 23.9 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -178.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.431 ' HD3' ' HA ' ' A' ' 46' ' ' ARG . 21.0 mmt180 -91.94 -53.37 4.3 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.264 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -168.91 163.45 11.56 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.974 -0.291 . . . . 0.0 110.359 -176.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.8 p . . . . . 0 C--N 1.313 -0.987 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.643 -179.624 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.536 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 52.3 Cg_exo . . . . . 0 CA--C 1.538 0.683 0 N-CA-C 116.157 1.56 . . . . 0.0 116.157 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 9.1 Cg_endo -50.03 128.01 20.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 C-N-CA 122.7 2.267 . . . . 0.0 113.806 -174.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.694 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 8.0 p -128.78 138.29 54.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.359 179.083 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.514 ' NE2' ' HB ' ' A' ' 65' ' ' THR . 6.1 tp60 -98.2 110.0 22.66 Favored 'General case' 0 C--O 1.237 0.434 0 O-C-N 121.633 -0.667 . . . . 0.0 110.088 -175.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.598 HG21 HD21 ' A' ' 73' ' ' LEU . 91.3 t -123.98 132.81 70.77 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.845 -177.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -90.45 112.84 24.62 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.629 177.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.424 ' CZ3' ' HB2' ' A' ' 30' ' ' MET . 91.9 m95 -95.78 123.2 39.25 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -176.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.529 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -83.64 -25.21 30.96 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -171.221 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.51 ' HB3' ' CG ' ' A' ' 41' ' ' ASP . 22.8 t -70.94 -35.95 72.41 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.489 0.661 . . . . 0.0 109.604 -178.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.3 p -92.4 -39.8 11.24 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.507 0.67 . . . . 0.0 110.529 175.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.59 29.92 9.58 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.675 176.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 57.0 mtt85 -138.1 154.12 49.25 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 122.396 0.278 . . . . 0.0 110.686 -178.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.514 ' HB ' ' NE2' ' A' ' 56' ' ' GLN . 21.6 p -83.13 147.36 28.13 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 169.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -152.8 146.51 25.13 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.389 0.614 . . . . 0.0 110.439 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.694 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 24.3 m-90 -94.97 114.63 26.48 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 178.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.488 ' O ' HG12 ' A' ' 55' ' ' VAL . 1.6 t -115.06 177.22 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.852 -174.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.479 ' H ' HG12 ' A' ' 68' ' ' VAL . 2.2 m80 -93.26 134.63 35.27 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 172.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -48.59 -47.58 39.71 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -177.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -72.34 4.09 4.07 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -173.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.468 ' HG3' ' HB2' ' A' ' 69' ' ' HIS . 57.8 mtp -97.52 -9.0 27.91 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 122.291 -0.256 . . . . 0.0 110.751 177.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.598 HD21 HG21 ' A' ' 57' ' ' VAL . 8.0 mp -103.51 137.06 42.1 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 120.805 0.336 . . . . 0.0 110.869 -174.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.506 ' HB2' HD21 ' A' ' 31' ' ' LEU . 39.3 tt0 -95.75 134.82 38.24 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 172.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.6 tt -88.1 108.91 19.11 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 CA-C-O 122.519 1.152 . . . . 0.0 110.226 -174.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 82.3 mt . . . . . 0 C--N 1.322 -0.592 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.092 176.983 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.7 t80 . . . . . 0 C--O 1.241 0.639 0 CA-C-O 121.334 0.588 . . . . 0.0 109.932 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.544 ' HB2' ' HA ' ' A' ' 71' ' ' HIS . . . -59.65 -31.48 69.57 Favored 'General case' 0 N--CA 1.438 -1.044 0 C-N-CA 123.661 0.784 . . . . 0.0 110.519 176.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.6 tp -69.6 -36.05 75.85 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.508 176.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -65.87 -48.9 70.01 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.655 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 19.4 m -63.09 -42.73 97.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.416 177.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -57.94 -41.6 83.14 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.419 0.628 . . . . 0.0 111.03 177.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -56.85 -34.69 68.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.348 -176.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.452 ' HB ' HD12 ' A' ' 75' ' ' ILE . 3.2 m -109.43 -2.86 17.45 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.824 -174.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.657 HD12 ' HZ3' ' A' ' 70' ' ' TRP . 19.6 mt -81.27 100.07 8.96 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 177.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -92.08 161.5 33.07 Favored Pre-proline 0 C--N 1.309 -1.183 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.109 174.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.11 110.57 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.093 1.862 . . . . 0.0 111.787 173.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.25 -8.51 26.83 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.788 -176.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.429 ' HB3' HD22 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -73.01 136.16 45.03 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.202 0.525 . . . . 0.0 110.099 178.656 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.449 HH21 ' CD ' ' A' ' 60' ' ' GLU . 48.3 ttt180 -83.2 151.23 25.77 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.287 -178.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.7 m -137.78 157.43 33.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.74 0.781 . . . . 0.0 111.054 -177.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.528 ' HB2' HD11 ' A' ' 76' ' ' LEU . 43.1 ttp180 -128.47 143.74 51.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.189 174.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.406 ' HG2' HG22 ' A' ' 37' ' ' ILE . 13.2 tpt -80.36 119.36 22.98 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.596 -178.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.0 mt -90.72 -27.03 19.23 Favored 'General case' 0 C--O 1.243 0.74 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -177.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.49 ' HB2' ' HB2' ' A' ' 72' ' ' MET . 1.9 m-20 -113.85 167.99 10.17 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.775 0.321 . . . . 0.0 110.54 -174.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -98.33 126.91 44.03 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.244 0.545 . . . . 0.0 110.038 177.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.41 ' HE2' ' OH ' ' A' ' 66' ' ' TYR . 31.8 t80 -120.97 178.07 4.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.791 -171.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -84.29 28.75 0.61 Allowed 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.651 -175.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -173.45 -41.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.701 0.762 . . . . 0.0 109.34 -175.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.406 HG22 ' HG2' ' A' ' 30' ' ' MET . 32.5 mm -114.12 157.0 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 113.75 -1.568 . . . . 0.0 108.81 -179.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.3 t -131.06 163.4 27.7 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -176.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.39 128.83 38.25 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-O 121.026 0.441 . . . . 0.0 110.228 -179.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.26 -18.25 42.44 Favored Glycine 0 CA--C 1.521 0.423 0 CA-C-N 115.765 -0.652 . . . . 0.0 113.322 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -62.59 138.29 58.45 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 117.206 0.503 . . . . 0.0 109.905 174.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 39.9 mt-10 -116.5 157.54 25.04 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 121.28 0.562 . . . . 0.0 110.472 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -162.64 -171.37 28.76 Favored Glycine 0 CA--C 1.505 -0.536 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.898 178.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -122.0 148.57 44.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.554 0.692 . . . . 0.0 110.151 -178.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.486 ' HE1' ' HB3' ' A' ' 48' ' ' SER . 71.5 t80 -91.49 120.27 32.16 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.125 -178.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -99.24 -50.65 4.06 Favored 'General case' 0 C--N 1.315 -0.911 0 O-C-N 121.865 -0.522 . . . . 0.0 111.535 179.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -165.49 159.71 17.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.421 0.629 . . . . 0.0 110.688 -175.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.61 ' HB3' HG23 ' A' ' 55' ' ' VAL . 17.9 p . . . . . 0 C--N 1.313 -1.016 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.637 -177.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.512 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 34.6 Cg_exo . . . . . 0 CA--C 1.55 1.312 0 N-CA-C 115.588 1.342 . . . . 0.0 115.588 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 10.0 Cg_endo -52.45 116.9 3.15 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 122.128 1.885 . . . . 0.0 114.424 -173.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.61 HG23 ' HB3' ' A' ' 48' ' ' SER . 2.7 p -129.81 136.56 58.75 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.391 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.891 174.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -95.76 111.91 23.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.619 0.723 . . . . 0.0 110.862 -175.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.5 t -122.9 140.97 45.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.726 -176.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -95.49 111.07 23.04 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 174.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -83.38 113.53 20.8 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.772 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.449 ' CD ' HH21 ' A' ' 27' ' ' ARG . 12.5 pt-20 -77.82 -20.61 52.88 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.341 0.591 . . . . 0.0 110.223 -175.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.2 t -65.42 -43.5 90.33 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.737 177.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.2 m -96.58 -33.34 11.83 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.901 0.858 . . . . 0.0 110.167 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.92 23.72 24.66 Favored Glycine 0 CA--C 1.521 0.462 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.731 178.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 64' ' ' ARG . 10.1 ptp180 -133.07 151.51 52.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.341 0.591 . . . . 0.0 111.296 -177.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -81.31 138.87 35.67 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.296 -0.866 . . . . 0.0 109.538 173.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.41 ' OH ' ' HE2' ' A' ' 34' ' ' TYR . 37.7 t80 -152.1 149.51 28.88 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.442 0.163 . . . . 0.0 111.414 -177.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.514 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 22.1 m-90 -97.02 117.99 32.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.585 178.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.482 HG12 ' H ' ' A' ' 69' ' ' HIS . 1.0 OUTLIER -117.06 -179.58 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -174.32 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.518 ' HB2' ' SD ' ' A' ' 72' ' ' MET . 33.0 m-70 -103.37 136.61 42.8 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.257 0.551 . . . . 0.0 109.856 174.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.657 ' HZ3' HD12 ' A' ' 22' ' ' LEU . 99.1 m95 -52.13 -36.32 50.89 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -179.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.544 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . 12.0 p80 -63.53 -14.22 48.98 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -171.291 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.518 ' SD ' ' HB2' ' A' ' 69' ' ' HIS . 0.6 OUTLIER -115.58 13.31 16.32 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.985 -176.041 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 74.0 mt -106.59 133.39 51.34 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 73.3 tt0 -100.1 135.16 41.95 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.931 176.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.452 HD12 ' HB ' ' A' ' 21' ' ' THR . 7.9 tt -76.41 124.52 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.912 177.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.528 HD11 ' HB2' ' A' ' 29' ' ' ARG . 89.1 mt . . . . . 0 C--N 1.319 -0.729 0 CA-C-O 121.407 0.623 . . . . 0.0 109.581 172.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.442 ' O ' HG22 ' A' ' 18' ' ' VAL . 75.1 t80 . . . . . 0 N--CA 1.445 -0.675 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.23 -34.04 68.17 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.009 175.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.0 tp -72.97 -42.33 63.46 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.668 176.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -62.09 -54.77 36.64 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.593 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.745 ' HB ' HD23 ' A' ' 22' ' ' LEU . 27.8 m -57.0 -29.45 31.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 112.916 0.709 . . . . 0.0 112.916 -177.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.411 HH21 ' HH2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -47.64 -49.61 26.78 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 179.286 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -86.81 -22.46 25.85 Favored 'General case' 0 C--N 1.315 -0.934 0 O-C-N 122.06 -0.4 . . . . 0.0 110.836 -177.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.9 m -87.02 -25.9 24.01 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.022 0.439 . . . . 0.0 110.929 -172.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.745 HD23 ' HB ' ' A' ' 18' ' ' VAL . 3.8 mm? -78.53 100.54 6.95 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.481 0.658 . . . . 0.0 111.236 -178.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.39 137.07 20.69 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.098 172.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -49.62 101.65 0.05 OUTLIER 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 123.046 2.498 . . . . 0.0 111.796 175.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.38 -8.97 6.23 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.748 -175.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 50.3 tpp -82.41 128.59 34.39 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 43' ' ' GLY . 20.0 ttm180 -79.52 141.53 36.59 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 121.332 0.586 . . . . 0.0 112.285 -177.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.601 HG12 HG22 ' A' ' 75' ' ' ILE . 34.1 m -123.2 160.21 26.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.63 -176.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.3 ttt85 -122.7 132.68 54.37 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.565 174.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 13.5 tpt -79.62 105.13 10.7 Favored 'General case' 0 C--O 1.238 0.468 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 172.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.458 ' CD1' ' H ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -95.34 -11.26 28.1 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 122.152 -0.342 . . . . 0.0 111.717 -173.852 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -118.54 139.29 51.68 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 175.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -84.39 146.84 27.46 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 122.044 -0.41 . . . . 0.0 110.908 -172.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -153.26 153.91 33.59 Favored 'General case' 0 C--O 1.209 -1.045 0 CA-C-N 115.2 -0.909 . . . . 0.0 108.821 -174.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.479 ' CD ' ' H ' ' A' ' 35' ' ' GLU . 1.5 mp0 -39.14 -71.8 0.07 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 178.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -67.11 -55.28 14.9 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 122.426 0.29 . . . . 0.0 111.325 -174.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -105.3 136.58 38.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 O-C-N 123.806 0.691 . . . . 0.0 109.645 -177.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.4 m -110.09 155.59 21.69 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.848 -168.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.28 127.26 31.24 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 176.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.65 -14.2 46.26 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.236 -0.983 . . . . 0.0 112.05 -176.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -70.82 144.3 50.83 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-O 121.698 0.761 . . . . 0.0 109.564 177.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -131.54 149.32 52.56 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 -176.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.482 ' HA2' ' HG2' ' A' ' 60' ' ' GLU . . . -166.41 -171.46 32.59 Favored Glycine 0 N--CA 1.434 -1.445 0 C-N-CA 119.402 -1.38 . . . . 0.0 112.942 -177.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -110.18 148.48 31.73 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.642 -0.279 . . . . 0.0 111.471 -178.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.572 ' CG ' HD12 ' A' ' 22' ' ' LEU . 81.4 t80 -86.81 117.92 25.86 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 176.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -90.79 -55.93 3.38 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.576 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 pm0 -172.32 168.67 5.53 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.165 0.507 . . . . 0.0 111.672 -177.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.403 ' HG ' ' HH2' ' A' ' 70' ' ' TRP . 16.3 m . . . . . 0 C--O 1.218 -0.578 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.824 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.465 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 33.0 Cg_exo . . . . . 0 CA--C 1.539 0.766 0 N-CA-C 114.923 1.086 . . . . 0.0 114.923 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.465 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 9.5 Cg_endo -55.17 119.98 7.42 Favored 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 121.361 1.374 . . . . 0.0 113.657 -177.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.681 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 9.5 p -127.32 133.37 68.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 114.884 -1.053 . . . . 0.0 108.82 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -99.84 108.88 21.26 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-O 121.488 0.661 . . . . 0.0 110.222 -170.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.453 HG21 HD22 ' A' ' 73' ' ' LEU . 62.2 t -122.83 138.38 53.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.119 -177.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.441 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 43.6 t80 -97.77 120.77 38.75 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.436 0.636 . . . . 0.0 109.468 177.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.416 ' HZ2' HG21 ' A' ' 68' ' ' VAL . 95.9 m95 -100.96 127.99 47.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.41 -176.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.482 ' HG2' ' HA2' ' A' ' 43' ' ' GLY . 8.6 mm-40 -70.33 -40.25 74.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.893 -170.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.8 m -67.27 -39.55 86.07 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 121.684 0.754 . . . . 0.0 111.246 -175.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.4 m -83.3 -31.25 26.98 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.598 177.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.468 ' C ' ' HD2' ' A' ' 64' ' ' ARG . . . 72.2 24.09 76.95 Favored Glycine 0 CA--C 1.524 0.643 0 O-C-N 124.426 1.079 . . . . 0.0 112.284 179.401 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.468 ' HD2' ' C ' ' A' ' 63' ' ' GLY . 8.6 mpt_? -131.8 149.23 52.53 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 115.045 -0.578 . . . . 0.0 109.88 -179.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.441 ' HA ' ' HA ' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -81.71 143.87 31.55 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 174.194 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -147.55 147.42 30.09 Favored 'General case' 0 N--CA 1.437 -1.078 0 N-CA-C 110.491 -0.189 . . . . 0.0 110.491 -174.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.681 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -96.77 114.97 26.65 Favored 'General case' 0 C--O 1.241 0.635 0 O-C-N 124.421 1.076 . . . . 0.0 109.808 177.551 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.564 HG12 ' HB2' ' A' ' 72' ' ' MET . 3.1 t -105.41 169.17 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.86 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -174.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -88.49 136.97 32.73 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 168.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.411 ' HH2' HH21 ' A' ' 19' ' ' ARG . 97.5 m95 -44.75 -49.49 10.57 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -172.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -73.67 2.63 7.74 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.695 -174.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.564 ' HB2' HG12 ' A' ' 68' ' ' VAL . 90.4 mmm -92.24 -18.61 23.18 Favored 'General case' 0 CA--C 1.516 -0.345 0 O-C-N 121.895 -0.503 . . . . 0.0 110.963 -179.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.453 HD22 HG21 ' A' ' 57' ' ' VAL . 3.6 pp -115.29 133.79 55.71 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.554 0.693 . . . . 0.0 110.898 -176.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -120.06 108.13 13.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.255 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.601 HG22 HG12 ' A' ' 28' ' ' VAL . 12.4 pt -49.94 132.07 9.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 178.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 15.1 tp . . . . . 0 N--CA 1.443 -0.816 0 CA-C-N 114.55 -1.204 . . . . 0.0 108.015 175.513 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 84.0 t80 . . . . . 0 N--CA 1.446 -0.648 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.417 ' HB1' ' HB2' ' A' ' 70' ' ' TRP . . . -57.57 -33.02 67.73 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.919 176.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.1 tp -73.33 -41.06 63.94 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -59.21 -53.37 59.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.881 178.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.2 m -62.43 -37.96 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 O-C-N 123.826 0.704 . . . . 0.0 111.831 -179.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.451 ' HA ' ' CZ3' ' A' ' 70' ' ' TRP . 37.0 ttm180 -52.62 -51.79 58.41 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-O 121.107 0.48 . . . . 0.0 111.838 177.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -79.32 -26.7 42.14 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -174.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.9 p -82.36 -36.13 27.13 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -176.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.416 ' HG ' HG22 ' A' ' 75' ' ' ILE . 31.8 mt -82.59 103.5 12.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 122.478 1.132 . . . . 0.0 112.665 -179.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.769 ' N ' HE21 ' A' ' 23' ' ' GLN . 0.0 OUTLIER -89.81 156.87 46.96 Favored Pre-proline 0 N--CA 1.448 -0.537 0 CA-C-N 114.165 -1.38 . . . . 0.0 110.463 172.147 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.79 122.45 11.02 Favored 'Trans proline' 0 C--O 1.237 0.46 0 C-N-CA 122.113 1.875 . . . . 0.0 111.887 175.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.82 -11.03 49.29 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.127 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.479 ' SD ' ' HB2' ' A' ' 23' ' ' GLN . 88.8 mtp -84.12 138.62 32.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.287 0.565 . . . . 0.0 110.791 178.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 -82.29 149.01 28.02 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 122.196 0.998 . . . . 0.0 111.842 -175.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.406 HG21 HG11 ' A' ' 57' ' ' VAL . 34.9 m -131.05 158.4 43.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 114.321 -1.309 . . . . 0.0 111.054 -171.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.458 ' HB3' ' HB3' ' A' ' 74' ' ' GLU . 43.8 ttm180 -124.26 136.54 54.21 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.573 174.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.515 ' HG2' HG22 ' A' ' 37' ' ' ILE . 11.8 tpt -79.21 108.75 12.95 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.335 0.588 . . . . 0.0 110.161 177.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.509 ' HB2' ' HB2' ' A' ' 74' ' ' GLU . 25.2 tp -90.93 -6.54 53.96 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.06 -0.973 . . . . 0.0 111.618 -173.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.588 ' HB3' ' HB2' ' A' ' 72' ' ' MET . 14.8 t70 -138.38 150.61 46.71 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 -178.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.461 ' HA ' ' HA ' ' A' ' 38' ' ' SER . 5.9 p-10 -86.36 126.8 34.61 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 175.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -151.33 99.66 2.67 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.575 0.702 . . . . 0.0 110.561 -172.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 59.46 -112.07 0.57 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-N 114.83 -1.077 . . . . 0.0 111.816 175.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -72.08 -25.96 61.97 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 122.424 0.29 . . . . 0.0 111.648 -175.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.515 HG22 ' HG2' ' A' ' 30' ' ' MET . 16.7 mm -106.92 151.45 8.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -174.218 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.461 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 34.4 m -132.9 162.65 31.04 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -177.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.64 127.78 33.34 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 121.358 0.599 . . . . 0.0 111.245 -178.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.75 -17.7 38.56 Favored Glycine 0 N--CA 1.442 -0.941 0 CA-C-N 115.175 -0.92 . . . . 0.0 112.971 -178.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -64.31 139.85 58.81 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 172.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -128.17 155.31 44.67 Favored 'General case' 0 CA--C 1.513 -0.446 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.829 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.538 ' HA2' ' HG3' ' A' ' 60' ' ' GLU . . . -163.33 -168.52 25.43 Favored Glycine 0 N--CA 1.431 -1.659 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.551 -173.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -119.88 147.27 44.91 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 121.114 0.483 . . . . 0.0 109.765 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.8 ' HZ ' ' HB3' ' A' ' 48' ' ' SER . 47.4 t80 -86.26 114.13 22.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.595 -179.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 46' ' ' ARG . 3.8 mmp_? -88.55 -57.81 2.78 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.914 0.388 . . . . 0.0 111.262 -177.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -153.59 155.44 36.12 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.517 0.675 . . . . 0.0 109.735 -174.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.8 ' HB3' ' HZ ' ' A' ' 45' ' ' PHE . 9.3 p . . . . . 0 N--CA 1.443 -0.807 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.219 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.574 ' HA ' ' HD1' ' A' ' 70' ' ' TRP . 4.5 Cg_endo . . . . . 0 CA--C 1.549 1.274 0 N-CA-C 116.543 1.709 . . . . 0.0 116.543 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 10.3 Cg_endo -55.72 126.34 22.11 Favored 'Trans proline' 0 C--N 1.367 1.543 0 C-N-CA 121.888 1.725 . . . . 0.0 113.728 -177.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.935 HG11 HD11 ' A' ' 73' ' ' LEU . 13.6 p -130.34 140.65 48.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.247 177.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.407 ' HG2' ' HB2' ' A' ' 46' ' ' ARG . 55.3 tt0 -93.47 107.46 19.3 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -177.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.406 HG11 HG21 ' A' ' 28' ' ' VAL . 95.1 t -123.24 132.82 70.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 121.306 0.574 . . . . 0.0 110.391 -178.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.467 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 89.6 t80 -90.65 112.77 24.63 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 175.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.418 ' HZ2' HG21 ' A' ' 68' ' ' VAL . 98.2 m95 -91.04 118.38 30.35 Favored 'General case' 0 C--O 1.214 -0.783 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.238 -178.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.538 ' HG3' ' HA2' ' A' ' 43' ' ' GLY . 42.2 mt-10 -70.64 -35.9 73.15 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.059 -172.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.8 p -63.07 -39.24 94.14 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.116 0.484 . . . . 0.0 111.292 -178.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.4 m -86.75 -39.64 15.77 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-O 121.391 0.615 . . . . 0.0 109.828 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.27 25.32 16.75 Favored Glycine 0 N--CA 1.44 -1.045 0 CA-C-N 114.96 -1.018 . . . . 0.0 112.41 177.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.0 ptp85 -151.48 165.25 34.77 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 122.348 -0.501 . . . . 0.0 109.886 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.467 ' HA ' ' HA ' ' A' ' 58' ' ' PHE . 6.4 m -91.35 149.61 21.66 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.094 0.473 . . . . 0.0 110.631 -177.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -148.99 145.9 27.54 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.594 -177.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.581 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 20.5 m-90 -94.73 114.76 26.71 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.491 HG12 ' H ' ' A' ' 69' ' ' HIS . 2.7 t -110.39 175.99 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.223 -176.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.491 ' H ' HG12 ' A' ' 68' ' ' VAL . 30.2 m170 -108.31 146.83 32.35 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 174.032 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.574 ' HD1' ' HA ' ' A' ' 53' ' ' PRO . 92.5 m95 -55.92 -40.74 73.53 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -173.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -68.39 -7.87 35.31 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 -170.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.588 ' HB2' ' HB3' ' A' ' 32' ' ' ASP . 16.4 ptp -114.9 16.07 17.27 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 120.873 0.368 . . . . 0.0 111.326 178.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.935 HD11 HG11 ' A' ' 55' ' ' VAL . 92.3 mt -101.22 128.67 47.23 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-O 121.092 0.472 . . . . 0.0 112.077 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.509 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . 8.5 tp10 -107.01 134.92 49.44 Favored 'General case' 0 N--CA 1.437 -1.115 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 173.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.416 HG22 ' HG ' ' A' ' 22' ' ' LEU . 25.9 pt -96.04 134.56 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.917 0 CA-C-O 121.464 0.649 . . . . 0.0 111.445 -173.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.0 mt . . . . . 0 C--N 1.314 -0.936 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.868 178.711 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 . . . . . 0 N--CA 1.451 -0.402 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.97 -32.24 69.47 Favored 'General case' 0 N--CA 1.453 -0.275 0 O-C-N 124.766 1.291 . . . . 0.0 111.926 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.9 tp -73.33 -42.96 61.68 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 121.842 0.83 . . . . 0.0 110.621 -177.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -64.07 -54.32 35.92 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 114.819 -1.082 . . . . 0.0 111.656 176.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.526 ' O ' ' HB3' ' A' ' 22' ' ' LEU . 35.0 m -60.97 -43.62 96.39 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.809 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.687 -176.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.499 ' HB2' ' CZ3' ' A' ' 70' ' ' TRP . 76.2 ttt180 -56.93 -30.45 64.01 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 118.46 0.573 . . . . 0.0 112.365 178.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -80.82 -53.23 6.66 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.4 -177.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.7 m -86.55 -38.86 16.76 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -172.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.879 HD13 HG12 ' A' ' 75' ' ' ILE . 58.1 tp -72.56 96.62 1.98 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.761 0.791 . . . . 0.0 110.656 -175.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -82.54 153.73 68.25 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.845 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -56.35 116.17 2.99 Favored 'Trans proline' 0 CA--C 1.532 0.385 0 C-N-CA 123.091 2.528 . . . . 0.0 111.396 173.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.08 -13.8 16.58 Favored Glycine 0 N--CA 1.439 -1.113 0 C-N-CA 120.881 -0.675 . . . . 0.0 111.783 -175.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.483 ' HB2' HD12 ' A' ' 22' ' ' LEU . 47.4 mtt -79.31 141.17 37.24 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.415 0.626 . . . . 0.0 110.318 176.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.497 ' O ' ' HB2' ' A' ' 76' ' ' LEU . 44.5 ttt180 -79.75 147.22 31.96 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.709 -178.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.5 m -129.03 157.07 41.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.986 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.456 ' HB2' HD21 ' A' ' 76' ' ' LEU . 39.5 ttm180 -126.68 132.47 51.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.157 -178.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.544 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 14.8 tpt -87.16 128.42 35.13 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.752 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.454 HD23 ' HG2' ' A' ' 74' ' ' GLU . 0.4 OUTLIER -115.18 14.57 16.99 Favored 'General case' 0 C--N 1.311 -1.074 0 C-N-CA 120.509 -0.476 . . . . 0.0 111.396 -179.854 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.404 ' H ' ' HG3' ' A' ' 30' ' ' MET . 35.3 t70 -140.1 156.28 46.64 Favored 'General case' 0 C--O 1.248 0.999 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.142 -178.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -95.51 123.42 39.04 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -159.2 102.71 1.61 Allowed 'General case' 0 C--O 1.235 0.338 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -175.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 73.53 -26.22 0.19 Allowed 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 159.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -175.53 -38.5 0.01 OUTLIER 'General case' 0 C--N 1.311 -1.093 0 CA-C-O 121.354 0.597 . . . . 0.0 109.699 -169.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.464 HG22 ' HG2' ' A' ' 30' ' ' MET . 15.9 mm -95.54 146.72 6.61 Favored 'Isoleucine or valine' 0 C--O 1.245 0.838 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.253 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.9 m -123.72 167.29 14.21 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.923 0.392 . . . . 0.0 110.308 -176.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.03 125.95 27.95 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.264 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.2 -16.49 42.04 Favored Glycine 0 C--O 1.225 -0.463 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.08 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -73.98 153.05 39.9 Favored 'General case' 0 C--O 1.213 -0.867 0 CA-C-O 121.209 0.528 . . . . 0.0 109.798 176.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.504 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 41.8 mt-10 -131.65 161.48 32.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.645 -177.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -162.68 -171.6 29.08 Favored Glycine 0 N--CA 1.453 -0.205 0 CA-C-N 114.854 -1.067 . . . . 0.0 111.528 178.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -116.02 142.12 47.21 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 117.004 0.402 . . . . 0.0 110.409 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -88.3 124.34 33.8 Favored 'General case' 0 C--N 1.315 -0.932 0 O-C-N 124.011 0.82 . . . . 0.0 110.635 -178.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.425 ' CD ' ' HB2' ' A' ' 58' ' ' PHE . 17.2 mtp180 -106.51 -55.05 2.38 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -148.21 152.8 37.84 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.423 -0.511 . . . . 0.0 112.076 -169.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.501 ' HB3' ' CH2' ' A' ' 70' ' ' TRP . 42.5 m . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.853 172.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo . . . . . 0 CA--C 1.538 0.683 0 N-CA-C 115.068 1.142 . . . . 0.0 115.068 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -54.7 130.49 40.63 Favored 'Trans proline' 0 CA--C 1.546 1.106 0 C-N-CA 121.932 1.754 . . . . 0.0 113.675 -178.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.607 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 14.9 p -130.65 136.84 57.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.053 -0.976 . . . . 0.0 108.968 173.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -98.0 109.35 22.12 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.569 0.7 . . . . 0.0 110.724 -171.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 96.9 t -121.05 138.68 50.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.428 -177.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.425 ' HB2' ' CD ' ' A' ' 46' ' ' ARG . 88.7 t80 -92.72 109.63 21.06 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 176.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.544 ' CH2' ' HB2' ' A' ' 30' ' ' MET . 99.8 m95 -89.37 117.28 28.19 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 -176.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 10.7 pt-20 -72.33 -19.62 61.62 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.003 -0.998 . . . . 0.0 110.015 -176.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.5 t -67.59 -45.77 74.53 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.47 178.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.5 m -93.85 -25.86 17.16 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.738 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.71 28.06 55.66 Favored Glycine 0 N--CA 1.437 -1.239 0 N-CA-C 111.975 -0.45 . . . . 0.0 111.975 -176.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -136.0 156.23 49.05 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.375 -0.413 . . . . 0.0 111.613 -175.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 p -83.49 136.06 34.43 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 121.435 0.636 . . . . 0.0 109.573 171.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.437 ' HB3' ' CD1' ' A' ' 59' ' ' TRP . 44.3 t80 -141.56 147.12 37.18 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.582 -175.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.607 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 32.6 m-90 -98.29 115.5 28.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 123.545 0.528 . . . . 0.0 110.288 176.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.532 ' O ' HG12 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -114.48 -178.41 1.07 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.701 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -177.743 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.666 ' O ' ' HG2' ' A' ' 72' ' ' MET . 27.8 m170 -98.43 136.43 38.58 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 120.27 -0.572 . . . . 0.0 109.981 172.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.501 ' CH2' ' HB3' ' A' ' 48' ' ' SER . 25.9 m95 -45.25 -51.85 10.29 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.384 0.674 . . . . 0.0 112.57 178.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 27.7 p80 -72.27 -6.21 41.44 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -170.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.666 ' HG2' ' O ' ' A' ' 69' ' ' HIS . 15.5 ptm -107.71 19.45 20.12 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 121.623 -0.673 . . . . 0.0 110.99 -176.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 70' ' ' TRP . 4.2 pp -136.29 154.76 50.79 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 120.437 -0.505 . . . . 0.0 111.332 178.006 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.454 ' HG2' HD23 ' A' ' 31' ' ' LEU . 4.5 mm-40 -101.66 140.33 36.09 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.953 178.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.879 HG12 HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -94.77 121.12 45.08 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 CA-C-O 122.074 0.94 . . . . 0.0 109.925 178.793 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.497 ' HB2' ' O ' ' A' ' 27' ' ' ARG . 4.4 mm? . . . . . 0 CA--C 1.515 -0.382 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.241 177.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.478 ' OH ' HD11 ' A' ' 31' ' ' LEU . 36.5 t80 . . . . . 0 C--O 1.245 0.816 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.717 ' O ' ' HG3' ' A' ' 19' ' ' ARG . . . -55.0 -38.96 68.55 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.852 0.72 . . . . 0.0 112.059 175.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.4 tp -66.76 -46.3 75.83 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 121.61 0.719 . . . . 0.0 110.595 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -58.76 -53.94 52.65 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.702 -1.135 . . . . 0.0 110.733 -178.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.0 m -60.75 -42.27 91.52 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 CA-C-N 115.756 -0.657 . . . . 0.0 112.378 -174.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.717 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 47.9 mtm180 -55.35 -41.68 72.83 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 121.266 0.555 . . . . 0.0 111.836 179.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -83.57 -45.11 13.9 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.57 -175.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.3 m -81.32 -33.56 32.43 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -172.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.796 HD11 HG12 ' A' ' 28' ' ' VAL . 2.3 tt -95.26 95.46 8.52 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.612 0.72 . . . . 0.0 109.457 -175.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -91.72 158.3 40.39 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.559 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -51.06 123.22 11.4 Favored 'Trans proline' 0 C--O 1.24 0.614 0 C-N-CA 123.0 2.466 . . . . 0.0 111.57 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.79 -27.1 8.06 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.129 -176.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.492 ' HB2' HD23 ' A' ' 22' ' ' LEU . 16.3 mmt -73.21 137.79 45.23 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 178.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.551 ' HG3' ' O ' ' A' ' 43' ' ' GLY . 36.1 ttm180 -75.37 147.53 39.96 Favored 'General case' 0 C--O 1.242 0.696 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.861 173.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.796 HG12 HD11 ' A' ' 22' ' ' LEU . 20.9 m -122.79 156.18 28.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 O-C-N 123.424 0.452 . . . . 0.0 110.155 -176.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -126.31 139.88 52.96 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.334 0.588 . . . . 0.0 110.09 170.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 12.9 tpt -84.95 122.83 29.76 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.053 -177.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.763 HD21 ' HB2' ' A' ' 74' ' ' GLU . 75.9 mt -79.32 -39.47 32.73 Favored 'General case' 0 C--O 1.243 0.712 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -175.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -129.36 159.85 34.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.51 -173.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.437 ' HA ' ' HA ' ' A' ' 38' ' ' SER . 12.0 m-20 -78.78 125.24 29.1 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -151.05 100.87 2.83 Favored 'General case' 0 C--N 1.311 -1.068 0 C-N-CA 119.722 -0.791 . . . . 0.0 112.317 -169.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 69.27 -26.11 0.15 Allowed 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 163.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -167.48 -40.13 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.449 0.642 . . . . 0.0 109.856 -169.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 29.5 mm -101.66 153.17 5.13 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.206 0 CA-C-N 113.908 -1.496 . . . . 0.0 108.534 -175.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.437 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 0.4 OUTLIER -121.07 164.36 16.92 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.298 -177.328 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.93 130.37 44.47 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.92 -17.15 42.2 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 120.238 -0.982 . . . . 0.0 112.505 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -71.96 155.25 40.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.499 0.666 . . . . 0.0 110.391 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -137.36 160.05 40.2 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.348 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.551 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -162.27 -170.72 27.45 Favored Glycine 0 N--CA 1.443 -0.877 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.382 -177.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -119.88 140.85 50.2 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 117.697 0.749 . . . . 0.0 109.925 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.482 ' CD2' HD22 ' A' ' 22' ' ' LEU . 5.8 t80 -86.62 121.81 29.65 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -175.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 42.2 mtp85 -104.92 -57.07 2.08 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 120.416 -0.514 . . . . 0.0 111.462 -178.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -147.41 150.03 33.88 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.452 0.644 . . . . 0.0 111.237 -168.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 53.0 p . . . . . 0 C--N 1.316 -0.883 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 171.175 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.699 ' HA ' ' HD1' ' A' ' 70' ' ' TRP . 3.7 Cg_exo . . . . . 0 CA--C 1.548 1.18 0 N-CA-C 115.707 1.387 . . . . 0.0 115.707 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.43 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 15.4 Cg_endo -60.3 126.88 21.25 Favored 'Trans proline' 0 C--N 1.361 1.207 0 C-N-CA 121.592 1.528 . . . . 0.0 113.045 177.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.597 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 7.6 p -130.64 141.05 47.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.936 -176.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.558 ' OE1' ' HB ' ' A' ' 65' ' ' THR . 6.1 tp-100 -95.91 107.98 20.3 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 120.934 0.397 . . . . 0.0 110.089 -177.051 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.408 HG11 HG21 ' A' ' 28' ' ' VAL . 95.1 t -121.37 133.22 68.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.908 -177.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -89.26 118.14 28.74 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 174.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -91.07 112.77 24.81 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.306 -176.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.469 ' H ' ' HA2' ' A' ' 43' ' ' GLY . 34.5 mt-10 -68.7 -36.99 79.19 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.336 0.588 . . . . 0.0 110.735 -176.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.5 t -61.43 -39.32 90.38 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.658 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.9 m -90.07 -54.58 3.97 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 121.239 0.543 . . . . 0.0 111.517 -178.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.37 20.83 6.82 Favored Glycine 0 N--CA 1.441 -1.007 0 CA-C-N 115.195 -0.912 . . . . 0.0 112.265 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -141.66 160.96 39.09 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.36 0.6 . . . . 0.0 110.299 -178.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.558 ' HB ' ' OE1' ' A' ' 56' ' ' GLN . 12.3 p -86.56 156.59 20.0 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.196 171.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -159.12 146.47 17.35 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.597 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 13.3 m-90 -89.5 114.61 26.15 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 177.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.586 HG12 ' H ' ' A' ' 69' ' ' HIS . 1.4 t -111.87 -155.02 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.966 -174.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.586 ' H ' HG12 ' A' ' 68' ' ' VAL . 22.3 m80 -138.8 135.33 34.51 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 -172.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.699 ' HD1' ' HA ' ' A' ' 53' ' ' PRO . 96.9 m95 -51.54 -48.67 62.96 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -179.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -70.89 -0.04 8.32 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -171.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 16.5 ptp -122.31 14.61 10.46 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.079 0.854 . . . . 0.0 112.925 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.0 mt -112.3 134.67 53.71 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-O 120.617 0.246 . . . . 0.0 110.612 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.763 ' HB2' HD21 ' A' ' 31' ' ' LEU . 77.7 tt0 -94.12 130.43 40.31 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 176.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.521 HG12 ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -78.6 118.16 25.33 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 CA-C-O 121.486 0.66 . . . . 0.0 109.427 176.585 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 24.1 tp . . . . . 0 C--N 1.311 -1.09 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.404 -179.822 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.481 ' CD2' ' HA ' ' A' ' 71' ' ' HIS . 61.5 t80 . . . . . 0 N--CA 1.444 -0.734 0 N-CA-C 110.11 -0.329 . . . . 0.0 110.11 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.67 -32.75 69.4 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.99 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.0 tp -73.59 -46.25 48.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.634 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -59.29 -53.05 62.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.774 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.5 m -61.59 -40.35 86.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.56 177.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.6 ttt180 -57.76 -47.16 83.27 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.387 0.613 . . . . 0.0 111.945 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -74.73 -20.47 59.82 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.252 -0.885 . . . . 0.0 112.18 -175.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 m -99.78 -29.6 12.53 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.63 0.729 . . . . 0.0 111.468 -176.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.436 HD13 HG13 ' A' ' 75' ' ' ILE . 32.6 tp -79.03 105.86 10.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.547 -176.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -86.14 151.07 53.69 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.195 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -55.68 126.26 21.87 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 122.752 2.301 . . . . 0.0 111.522 176.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.78 -17.67 38.52 Favored Glycine 0 C--N 1.314 -0.693 0 O-C-N 124.063 0.852 . . . . 0.0 112.613 -177.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 41.9 mtt -71.04 144.95 50.21 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.077 0.465 . . . . 0.0 111.096 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -83.79 143.02 30.24 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.081 176.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.3 m -126.98 158.91 37.63 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.729 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 29' ' ' ARG . 27.7 ttp180 -129.47 136.87 50.43 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-O 121.068 0.461 . . . . 0.0 112.094 173.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.464 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . 10.3 tpt -71.74 130.97 42.42 Favored 'General case' 0 CA--C 1.5 -0.967 0 CA-C-N 115.006 -0.997 . . . . 0.0 108.994 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.7 tp -113.37 -20.98 11.13 Favored 'General case' 0 N--CA 1.435 -1.186 0 O-C-N 124.341 1.026 . . . . 0.0 109.978 -171.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.551 ' HB3' ' HB2' ' A' ' 72' ' ' MET . 27.8 t70 -114.16 150.04 34.79 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.052 178.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -95.19 144.15 26.03 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.164 0.507 . . . . 0.0 110.396 -177.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -158.67 155.5 28.25 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.31 -174.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.413 ' H ' ' CD ' ' A' ' 35' ' ' GLU . 2.6 mp0 -48.17 -42.42 29.62 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 179.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.442 ' HG3' ' CE1' ' A' ' 66' ' ' TYR . 39.0 mm-40 -77.07 -62.15 1.75 Allowed 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 120.861 0.362 . . . . 0.0 111.549 -178.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 32.4 mm -116.78 149.96 18.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.45 -175.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.6 m -122.75 151.54 41.5 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -172.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.17 135.47 57.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.091 0.472 . . . . 0.0 110.745 -176.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.16 -18.51 45.56 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.388 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -68.67 139.25 55.43 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 177.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.659 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 48.1 mt-10 -112.43 148.28 34.69 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.177 -178.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -152.28 176.87 30.37 Favored Glycine 0 CA--C 1.495 -1.193 0 C-N-CA 119.694 -1.241 . . . . 0.0 112.59 -177.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -108.26 143.32 37.26 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -89.72 115.27 26.95 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 175.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -100.12 -53.8 3.05 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 123.718 0.636 . . . . 0.0 110.684 -176.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.5 ' O ' ' HB3' ' A' ' 56' ' ' GLN . 5.0 pp0? -170.99 165.14 7.6 Favored 'General case' 0 C--N 1.316 -0.882 0 O-C-N 124.382 1.051 . . . . 0.0 109.397 -178.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.544 ' OG ' HG23 ' A' ' 55' ' ' VAL . 53.0 m . . . . . 0 CA--C 1.508 -0.645 0 O-C-N 121.356 -0.84 . . . . 0.0 111.615 178.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.521 ' HA ' ' HD1' ' A' ' 70' ' ' TRP . 6.4 Cg_endo . . . . . 0 N--CA 1.479 0.655 0 N-CA-C 117.119 1.93 . . . . 0.0 117.119 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 12.4 Cg_endo -55.42 116.4 3.12 Favored 'Trans proline' 0 C--N 1.367 1.52 0 C-N-CA 121.779 1.653 . . . . 0.0 113.643 -176.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.544 HG23 ' OG ' ' A' ' 48' ' ' SER . 7.7 p -119.57 128.28 75.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.693 174.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.5 ' HB3' ' O ' ' A' ' 47' ' ' GLN . 6.4 tp60 -95.02 110.63 22.52 Favored 'General case' 0 C--O 1.24 0.565 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -176.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.407 HG21 HD21 ' A' ' 73' ' ' LEU . 94.6 t -123.74 140.93 45.73 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.11 -173.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -94.87 110.39 22.28 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 174.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.464 ' CZ3' ' HB2' ' A' ' 30' ' ' MET . 89.4 m95 -94.71 125.65 39.51 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.777 -175.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.659 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 11.7 pt-20 -71.14 -44.13 66.17 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -171.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.5 m -63.76 -41.52 97.98 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.836 0.827 . . . . 0.0 111.349 -175.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.8 m -81.84 -23.04 36.65 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 122.24 1.019 . . . . 0.0 109.853 176.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 61.27 33.93 86.27 Favored Glycine 0 CA--C 1.51 -0.276 0 CA-C-N 114.898 -1.046 . . . . 0.0 111.729 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 64' ' ' ARG . 21.8 mtp85 -139.02 151.44 46.81 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 123.541 0.736 . . . . 0.0 111.194 -177.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.7 p -84.27 144.47 28.88 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.612 0.72 . . . . 0.0 110.134 171.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.442 ' CE1' ' HG3' ' A' ' 36' ' ' GLU . 59.2 t80 -152.36 144.46 23.84 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -177.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.457 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 13.3 m-90 -90.91 114.5 26.98 Favored 'General case' 0 C--O 1.242 0.681 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 177.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -111.47 179.69 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.209 -176.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.614 ' O ' ' HG2' ' A' ' 72' ' ' MET . 17.4 m-70 -102.63 136.27 42.76 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 121.461 -0.775 . . . . 0.0 109.663 173.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.521 ' HD1' ' HA ' ' A' ' 53' ' ' PRO . 94.7 m95 -51.1 -38.21 50.42 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -176.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.481 ' HA ' ' CD2' ' A' ' 14' ' ' TYR . 27.1 p80 -67.91 -14.97 63.39 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -170.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.614 ' HG2' ' O ' ' A' ' 69' ' ' HIS . 9.9 ptm -107.64 13.46 26.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 121.817 -0.552 . . . . 0.0 111.379 -175.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.407 HD21 HG21 ' A' ' 57' ' ' VAL . 9.8 mp -114.33 137.65 51.54 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.199 0.523 . . . . 0.0 110.866 177.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -96.96 130.73 44.24 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 174.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.436 HG13 HD13 ' A' ' 22' ' ' LEU . 10.5 tt -89.22 126.48 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.345 -175.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.404 HD11 ' HB2' ' A' ' 29' ' ' ARG . 63.2 mt . . . . . 0 N--CA 1.444 -0.733 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.742 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.569 ' OH ' ' HA ' ' A' ' 74' ' ' GLU . 81.7 t80 . . . . . 0 N--CA 1.463 0.177 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.573 ' HB1' ' HB2' ' A' ' 70' ' ' TRP . . . -60.3 -31.43 70.25 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.871 175.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.5 tp -70.77 -36.23 72.97 Favored 'General case' 0 N--CA 1.434 -1.244 0 CA-C-O 121.447 0.641 . . . . 0.0 110.157 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -64.86 -52.19 57.98 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.596 -1.184 . . . . 0.0 110.859 178.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.424 HG22 ' HA ' ' A' ' 15' ' ' ALA . 35.3 m -63.52 -34.21 66.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.488 ' HA ' ' CZ3' ' A' ' 70' ' ' TRP . 0.2 OUTLIER -54.13 -43.93 70.9 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.84 0.352 . . . . 0.0 110.196 173.456 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -77.56 -55.25 5.52 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.482 -175.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.4 m -89.36 -33.47 16.87 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -167.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.686 HD11 HG12 ' A' ' 28' ' ' VAL . 2.2 tt -79.34 98.4 6.69 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -176.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -93.76 162.63 26.67 Favored Pre-proline 0 N--CA 1.445 -0.684 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.078 -176.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.29 121.67 10.34 Favored 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 123.399 2.733 . . . . 0.0 111.621 174.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.29 -26.01 8.93 Favored Glycine 0 N--CA 1.439 -1.118 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -176.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 39.8 mtt -77.89 134.75 37.86 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.217 0.532 . . . . 0.0 111.1 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.601 ' HG3' ' O ' ' A' ' 43' ' ' GLY . 38.1 ttm180 -67.94 148.43 51.1 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.627 176.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.686 HG12 HD11 ' A' ' 22' ' ' LEU . 27.1 m -126.22 154.0 35.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.713 -178.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.737 ' HB3' ' HB3' ' A' ' 74' ' ' GLU . 43.4 ttm180 -120.39 124.59 45.88 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.985 177.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.553 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 12.3 tpt -78.03 119.16 21.08 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.689 HD11 ' HB2' ' A' ' 74' ' ' GLU . 93.0 mt -101.03 16.76 24.3 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 -175.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -161.55 151.58 17.07 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 121.731 -0.605 . . . . 0.0 110.735 -176.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.563 ' HA ' ' HA ' ' A' ' 38' ' ' SER . 12.0 t70 -89.9 126.43 35.71 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 176.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -153.49 103.75 2.68 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -170.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 69.99 -15.18 0.34 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.314 1.446 . . . . 0.0 114.297 166.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.538 ' HG3' HG12 ' A' ' 37' ' ' ILE . 9.8 pt-20 172.8 -31.38 0.0 OUTLIER 'General case' 0 C--O 1.24 0.594 0 CA-C-O 121.435 0.636 . . . . 0.0 110.655 -175.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.542 HG22 ' HG2' ' A' ' 30' ' ' MET . 36.1 mm -95.48 151.76 3.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 -179.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.563 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 47.2 p -124.65 167.79 14.05 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 118.673 0.67 . . . . 0.0 110.609 -175.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.09 128.19 35.11 Favored 'General case' 0 N--CA 1.427 -1.58 0 CA-C-O 121.473 0.654 . . . . 0.0 109.384 178.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.72 -13.6 46.23 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.894 -177.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -66.48 130.31 42.77 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 172.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -116.39 147.82 41.27 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.634 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.601 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -154.33 -170.42 20.18 Favored Glycine 0 C--N 1.308 -0.982 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.959 -171.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -125.73 147.82 49.25 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 117.551 0.676 . . . . 0.0 109.824 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -94.07 121.75 35.87 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -175.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.445 ' HB2' ' OE1' ' A' ' 47' ' ' GLN . 20.8 mtm180 -108.61 -47.61 3.46 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.202 -0.599 . . . . 0.0 112.413 -175.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.612 ' HG2' ' HB3' ' A' ' 56' ' ' GLN . 0.5 OUTLIER -157.21 160.45 38.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.994 0.426 . . . . 0.0 111.613 -174.636 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.32 -0.698 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.947 175.548 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.457 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 33.9 Cg_exo . . . . . 0 CA--C 1.536 0.581 0 N-CA-C 114.273 0.836 . . . . 0.0 114.273 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.457 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 10.5 Cg_endo -54.62 115.22 2.25 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 122.093 1.862 . . . . 0.0 113.54 -176.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.715 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 11.7 p -129.57 139.57 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.953 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.658 177.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.612 ' HB3' ' HG2' ' A' ' 47' ' ' GLN . 18.9 tp60 -96.36 109.23 21.79 Favored 'General case' 0 C--O 1.254 1.302 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.332 -175.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.504 HG21 HD21 ' A' ' 73' ' ' LEU . 96.3 t -118.77 136.11 57.03 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 -178.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -95.21 115.5 27.51 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 175.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.553 ' CH2' ' HB2' ' A' ' 30' ' ' MET . 95.2 m95 -87.1 113.29 22.71 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -177.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.525 ' HG3' ' HA2' ' A' ' 43' ' ' GLY . 41.9 mt-10 -70.2 -38.34 75.28 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.356 0.598 . . . . 0.0 110.609 -172.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.7 p -66.03 -35.07 79.55 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.544 -178.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.69 -53.36 4.45 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 121.471 0.653 . . . . 0.0 110.465 179.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.41 16.05 12.78 Favored Glycine 0 N--CA 1.438 -1.173 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.457 179.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.6 mtm-85 -130.37 154.49 47.63 Favored 'General case' 0 CA--C 1.515 -0.367 0 O-C-N 122.524 -0.398 . . . . 0.0 110.612 -178.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.435 ' HB ' ' NE2' ' A' ' 56' ' ' GLN . 6.5 p -87.11 149.06 24.94 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 121.767 0.794 . . . . 0.0 110.83 171.176 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -150.68 145.44 25.83 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.492 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.715 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 4.7 m-90 -88.95 114.82 25.99 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 174.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.49 ' O ' HG12 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -112.2 178.21 1.4 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.123 -175.131 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.537 ' HB2' ' SD ' ' A' ' 72' ' ' MET . 38.0 m170 -103.69 135.93 44.33 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.449 174.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.573 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . 63.7 m95 -49.46 -44.77 45.96 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -174.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -65.84 -9.04 25.35 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -172.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.537 ' SD ' ' HB2' ' A' ' 69' ' ' HIS . 2.9 ptm -109.66 9.36 25.03 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.561 0.696 . . . . 0.0 111.585 -177.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.504 HD21 HG21 ' A' ' 57' ' ' VAL . 10.8 mp -108.93 135.98 49.22 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.889 178.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.737 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . 30.6 tt0 -103.47 141.56 35.77 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 173.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.556 HG13 ' HG ' ' A' ' 22' ' ' LEU . 6.8 tt -91.21 131.02 39.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 120.981 0.42 . . . . 0.0 111.814 -174.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 29' ' ' ARG . 8.6 mp . . . . . 0 C--N 1.323 -0.569 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 176.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.474 ' O ' HG12 ' A' ' 18' ' ' VAL . 65.5 t80 . . . . . 0 C--O 1.23 0.077 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.96 -32.49 61.55 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 111.323 173.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.2 tp -73.26 -41.91 63.13 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.071 177.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -61.13 -49.06 78.78 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.632 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.612 HG23 ' CG2' ' A' ' 75' ' ' ILE . 2.5 p -62.21 -42.67 96.11 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.205 178.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.573 ' HD3' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -65.67 -37.08 85.5 Favored 'General case' 0 C--O 1.246 0.904 0 CA-C-O 120.566 0.222 . . . . 0.0 110.428 177.61 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -70.3 -28.5 65.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.134 0.492 . . . . 0.0 111.478 -178.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.2 m -90.32 -39.96 12.4 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.567 -176.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 22' ' ' LEU . 16.8 mt -69.84 103.59 2.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 122.49 1.138 . . . . 0.0 112.249 -175.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -79.75 142.92 57.5 Favored Pre-proline 0 N--CA 1.44 -0.948 0 CA-C-N 114.408 -1.269 . . . . 0.0 109.864 171.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -50.58 107.92 0.19 Allowed 'Trans proline' 0 C--O 1.238 0.525 0 C-N-CA 123.313 2.675 . . . . 0.0 112.132 175.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.42 -16.11 9.85 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.142 -175.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 46.9 mtt -68.77 143.17 54.73 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 120.725 0.297 . . . . 0.0 111.462 177.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.71 ' HG3' ' O ' ' A' ' 43' ' ' GLY . 10.2 ttm180 -85.05 148.03 26.36 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.277 0.56 . . . . 0.0 110.561 -178.328 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.7 m -129.1 155.15 40.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.977 0.894 . . . . 0.0 110.548 -176.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.458 ' HB3' ' HB3' ' A' ' 74' ' ' GLU . 51.4 ttt-85 -121.1 137.45 54.66 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.449 176.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.536 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . 12.7 tpt -85.52 118.48 25.07 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 123.067 0.547 . . . . 0.0 110.03 -179.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.503 HD11 ' HB2' ' A' ' 74' ' ' GLU . 89.7 mt -93.22 -18.12 22.88 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -177.101 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.534 ' HB3' ' HE2' ' A' ' 72' ' ' MET . 31.8 t70 -122.09 153.83 38.16 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.543 -0.169 . . . . 0.0 110.543 -171.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -100.39 121.8 42.1 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 175.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -160.95 108.51 1.52 Allowed 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 113.086 0.772 . . . . 0.0 113.086 -167.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 67.44 -23.72 0.12 Allowed 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 163.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -169.07 -47.23 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 122.521 1.153 . . . . 0.0 110.053 -168.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.452 HG22 ' HG2' ' A' ' 30' ' ' MET . 20.5 mm -99.34 151.42 4.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.801 -175.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.8 m -114.9 159.72 20.36 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -175.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.56 132.07 45.66 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.81 -11.14 52.95 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.212 -177.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -70.13 150.92 46.03 Favored 'General case' 0 N--CA 1.442 -0.871 0 O-C-N 121.729 -0.865 . . . . 0.0 111.357 175.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -123.11 143.9 49.68 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -177.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.71 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -149.9 -177.05 23.57 Favored Glycine 0 C--N 1.311 -0.853 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 -176.187 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -130.5 145.68 51.9 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 117.199 0.499 . . . . 0.0 109.866 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -87.32 118.48 26.78 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 120.843 0.354 . . . . 0.0 110.55 -175.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.9 mtp180 -91.27 -56.67 3.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.014 177.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.414 HE21 ' HB2' ' A' ' 47' ' ' GLN . 0.0 OUTLIER 178.86 170.77 0.86 Allowed 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.754 -176.532 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.7 p . . . . . 0 C--N 1.314 -0.937 0 O-C-N 123.506 0.504 . . . . 0.0 110.613 178.684 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.704 ' HA ' ' HD1' ' A' ' 70' ' ' TRP . 6.8 Cg_exo . . . . . 0 CA--C 1.56 1.778 0 N-CA-C 115.278 1.222 . . . . 0.0 115.278 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -58.57 105.47 0.22 Allowed 'Trans proline' 0 C--N 1.365 1.428 0 C-N-CA 121.877 1.718 . . . . 0.0 112.569 175.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.575 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 6.9 p -122.04 136.42 58.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.098 -174.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -101.09 112.06 24.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.529 0.68 . . . . 0.0 110.463 -176.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.1 t -121.73 133.37 68.38 Favored 'Isoleucine or valine' 0 C--O 1.248 1.02 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.731 -176.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -97.59 129.98 44.66 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 174.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.536 ' CZ3' ' HB2' ' A' ' 30' ' ' MET . 95.1 m95 -98.61 120.72 39.52 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.682 -0.235 . . . . 0.0 110.912 -172.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.409 ' H ' ' HA2' ' A' ' 43' ' ' GLY . 6.5 mm-40 -61.0 -52.48 64.83 Favored 'General case' 0 C--N 1.313 -1.018 0 C-N-CA 123.422 0.689 . . . . 0.0 111.452 -179.077 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.0 p -64.23 -38.16 90.06 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.328 -0.851 . . . . 0.0 112.77 -176.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.5 m -88.24 -54.87 3.99 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 121.275 0.56 . . . . 0.0 111.051 -177.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.93 20.74 12.12 Favored Glycine 0 C--N 1.322 -0.199 0 CA-C-O 121.827 0.682 . . . . 0.0 112.463 176.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -131.86 144.27 50.76 Favored 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 122.336 -0.508 . . . . 0.0 109.704 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -80.38 142.3 34.53 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 110.474 -0.195 . . . . 0.0 110.474 175.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -148.94 147.24 28.4 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 123.318 0.386 . . . . 0.0 110.762 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.575 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 10.6 m0 -89.17 114.47 25.77 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 174.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.54 HG12 ' H ' ' A' ' 69' ' ' HIS . 0.8 OUTLIER -106.47 -156.7 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.366 -173.097 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.826 ' HB2' ' SD ' ' A' ' 72' ' ' MET . 52.6 m80 -138.75 132.71 31.15 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 -173.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.704 ' HD1' ' HA ' ' A' ' 53' ' ' PRO . 98.5 m95 -57.8 -39.01 76.54 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -174.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.48 ' HD2' ' HB3' ' A' ' 69' ' ' HIS . 3.1 p80 -62.77 -19.33 63.89 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -175.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.826 ' SD ' ' HB2' ' A' ' 69' ' ' HIS . 5.9 ptm -109.7 6.62 23.84 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-O 121.333 0.587 . . . . 0.0 112.21 -173.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.4 mt -103.22 130.71 50.52 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.086 -178.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.503 ' HB2' HD11 ' A' ' 31' ' ' LEU . 37.0 tt0 -101.2 131.74 47.04 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 175.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.612 ' CG2' HG23 ' A' ' 18' ' ' VAL . 39.5 pt -88.29 124.56 41.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 C-N-CA 119.909 -0.716 . . . . 0.0 111.297 -173.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.7 mt . . . . . 0 C--N 1.314 -0.962 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 176.379 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.0 t80 . . . . . 0 N--CA 1.438 -1.048 0 CA-C-O 120.991 0.424 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.497 ' HB2' ' HA ' ' A' ' 71' ' ' HIS . . . -63.35 -31.27 72.38 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 123.079 0.552 . . . . 0.0 110.694 178.447 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.7 tp -69.23 -43.27 74.36 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -59.99 -54.1 50.03 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.453 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.591 HG12 HG22 ' A' ' 75' ' ' ILE . 35.9 m -67.4 -49.4 71.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -178.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -57.96 -37.77 74.78 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -175.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -72.99 -33.23 65.68 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-O 120.71 0.291 . . . . 0.0 111.575 -178.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.4 m -100.51 -24.17 14.53 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -169.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.4 tp -65.55 103.91 0.92 Allowed 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.093 0.473 . . . . 0.0 110.939 -174.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -94.41 148.36 34.87 Favored Pre-proline 0 N--CA 1.445 -0.697 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.35 176.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -52.0 115.41 2.13 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 123.059 2.506 . . . . 0.0 111.252 174.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.6 -8.23 19.88 Favored Glycine 0 C--N 1.334 0.427 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -178.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 61.4 mtt -84.42 136.08 34.0 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.478 0.656 . . . . 0.0 111.16 174.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.7 mtt180 -68.89 160.55 30.48 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 122.114 0.959 . . . . 0.0 110.813 174.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.2 m -134.66 150.97 30.76 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.155 0 CA-C-N 114.787 -1.097 . . . . 0.0 109.835 177.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.473 ' HB3' ' HB3' ' A' ' 74' ' ' GLU . 40.4 ttt180 -124.66 127.48 47.38 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.945 177.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.556 ' HG2' HG22 ' A' ' 37' ' ' ILE . 13.4 tpt -77.93 122.45 25.52 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.467 HD11 ' HB2' ' A' ' 74' ' ' GLU . 83.2 mt -110.12 -4.17 15.97 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-O 121.268 0.556 . . . . 0.0 112.197 -178.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.403 ' HB3' ' HB2' ' A' ' 72' ' ' MET . 2.1 t70 -121.9 -176.74 3.4 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.853 -177.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -121.02 121.62 38.35 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.327 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -150.7 104.52 3.2 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.318 0.58 . . . . 0.0 111.425 -175.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 55.84 -112.25 0.69 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.363 174.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -81.51 -14.74 56.59 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.762 -175.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.556 HG22 ' HG2' ' A' ' 30' ' ' MET . 10.5 mm -104.33 149.79 7.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.2 t -143.5 169.48 17.62 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 -177.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.37 131.36 50.54 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 121.349 0.595 . . . . 0.0 112.254 -173.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.93 -16.23 43.32 Favored Glycine 0 C--N 1.313 -0.727 0 CA-C-N 114.929 -1.032 . . . . 0.0 112.712 174.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -66.51 148.11 52.34 Favored 'General case' 0 C--O 1.248 0.985 0 CA-C-N 117.127 0.463 . . . . 0.0 110.145 178.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -127.58 147.91 50.35 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 120.9 0.381 . . . . 0.0 110.328 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -148.42 174.55 28.06 Favored Glycine 0 N--CA 1.433 -1.508 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.879 -177.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -105.41 140.29 38.74 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 177.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.529 ' HE1' ' HB3' ' A' ' 48' ' ' SER . 68.9 t80 -95.87 117.49 30.68 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 122.054 -0.404 . . . . 0.0 110.396 -178.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -105.98 -47.14 3.93 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.977 -176.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.408 ' HG3' ' HB3' ' A' ' 56' ' ' GLN . 19.3 pt20 -158.84 156.62 29.99 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.489 -178.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.61 ' HB3' HG23 ' A' ' 55' ' ' VAL . 72.4 p . . . . . 0 C--N 1.312 -1.033 0 O-C-N 122.051 -0.405 . . . . 0.0 110.781 177.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.565 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 51.0 Cg_exo . . . . . 0 CA--C 1.545 1.058 0 N-CA-C 116.489 1.688 . . . . 0.0 116.489 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 9.6 Cg_endo -53.91 130.85 41.3 Favored 'Trans proline' 0 C--N 1.368 1.576 0 C-N-CA 122.609 2.206 . . . . 0.0 113.562 -177.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.61 HG23 ' HB3' ' A' ' 48' ' ' SER . 6.4 p -127.94 137.59 57.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 114.338 -1.301 . . . . 0.0 109.456 178.355 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.408 ' HB3' ' HG3' ' A' ' 47' ' ' GLN . 5.6 tp-100 -94.74 108.22 20.22 Favored 'General case' 0 N--CA 1.441 -0.893 0 O-C-N 121.599 -0.688 . . . . 0.0 110.43 -174.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.1 t -121.53 137.21 55.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.04 -177.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.449 ' HD2' HG23 ' A' ' 65' ' ' THR . 41.7 t80 -92.54 109.88 21.29 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 173.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.469 ' HZ2' HG21 ' A' ' 68' ' ' VAL . 99.2 m95 -80.38 114.0 18.96 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.473 -176.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -58.99 -47.17 86.16 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.021 0.825 . . . . 0.0 110.558 -177.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 m -57.23 -40.43 77.55 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.876 -176.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.8 m -87.83 -46.22 9.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.869 0.842 . . . . 0.0 111.515 -177.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.19 20.05 24.26 Favored Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.814 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -135.37 160.94 36.86 Favored 'General case' 0 C--O 1.238 0.481 0 O-C-N 121.969 -0.724 . . . . 0.0 110.605 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.449 HG23 ' HD2' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -88.8 144.11 26.45 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.302 0.572 . . . . 0.0 110.36 173.75 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -149.53 145.1 26.67 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.142 -173.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.578 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 16.9 m-90 -92.41 116.17 28.74 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 177.067 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.474 ' O ' HG12 ' A' ' 55' ' ' VAL . 2.0 t -111.29 175.34 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.672 -179.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.616 ' O ' ' HG2' ' A' ' 72' ' ' MET . 34.9 m-70 -100.02 137.59 38.26 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.849 -0.532 . . . . 0.0 110.139 173.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -47.26 -48.81 24.5 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -178.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.497 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . 23.8 p80 -65.21 -4.79 5.57 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 -169.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.616 ' HG2' ' O ' ' A' ' 69' ' ' HIS . 17.1 ptp -113.56 5.7 16.71 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 118.645 0.657 . . . . 0.0 112.242 -178.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.413 HD21 HG11 ' A' ' 68' ' ' VAL . 91.4 mt -111.55 141.03 45.65 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.582 0.706 . . . . 0.0 111.514 -177.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.473 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . 40.1 tt0 -102.41 139.87 37.44 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.223 174.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.591 HG22 HG12 ' A' ' 18' ' ' VAL . 5.6 tt -81.75 122.05 36.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 179.141 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.1 tt . . . . . 0 C--N 1.311 -1.096 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.758 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.2 t80 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.574 ' O ' ' HG3' ' A' ' 19' ' ' ARG . . . -59.49 -28.99 67.52 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.214 0.531 . . . . 0.0 111.609 177.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.4 tp -73.18 -43.62 61.13 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.941 0.877 . . . . 0.0 109.62 175.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -59.97 -44.61 94.35 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.38 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.456 HG22 ' HA ' ' A' ' 15' ' ' ALA . 32.9 m -61.93 -44.05 98.35 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.935 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.574 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 69.9 mtp180 -62.19 -30.29 70.97 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.042 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -63.34 -52.66 60.89 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.018 -177.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.516 ' HB ' HD12 ' A' ' 75' ' ' ILE . 9.1 m -92.58 -33.02 14.6 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.891 -174.123 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.596 HD23 HG22 ' A' ' 75' ' ' ILE . 0.3 OUTLIER -78.71 100.49 7.09 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 121.288 0.566 . . . . 0.0 110.6 -175.235 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.458 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 13.2 pt20 -104.3 169.37 7.32 Favored Pre-proline 0 C--N 1.313 -0.996 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.775 178.392 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.458 ' HD2' ' HB2' ' A' ' 23' ' ' GLN . 50.1 Cg_exo -54.39 128.54 30.5 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.302 2.001 . . . . 0.0 111.674 174.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.97 -10.66 70.08 Favored Glycine 0 CA--C 1.508 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.336 -178.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.526 ' CG ' HD22 ' A' ' 22' ' ' LEU . 49.5 tpp -80.65 138.48 36.4 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 121.425 0.631 . . . . 0.0 110.224 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.3 ttp85 -81.6 142.19 33.01 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.05 -177.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.453 HG12 HD21 ' A' ' 22' ' ' LEU . 28.4 m -124.75 160.74 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-O 121.655 0.741 . . . . 0.0 110.715 -175.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.926 ' HB2' HD21 ' A' ' 76' ' ' LEU . 14.8 ttt180 -125.92 135.07 51.46 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.424 174.205 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.479 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 12.7 tpt -79.71 121.44 25.34 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.834 -0.166 . . . . 0.0 110.669 -178.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.455 HD21 ' HB2' ' A' ' 74' ' ' GLU . 87.9 mt -84.37 -22.04 30.65 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -136.06 160.73 37.75 Favored 'General case' 0 C--O 1.215 -0.733 0 C-N-CA 120.097 -0.641 . . . . 0.0 110.674 -170.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.427 ' HA ' ' HA ' ' A' ' 38' ' ' SER . 11.6 t70 -91.33 129.22 37.34 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 176.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -153.96 98.88 2.21 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 -171.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 63.43 -12.3 0.09 Allowed 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 115.321 1.6 . . . . 0.0 115.321 167.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -177.17 -40.32 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.275 0 O-C-N 121.585 -0.697 . . . . 0.0 109.832 -174.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.443 HG22 ' HG2' ' A' ' 30' ' ' MET . 31.0 mm -98.15 150.19 4.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -177.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.427 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 70.5 m -122.74 162.76 21.42 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.357 -177.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.16 128.27 35.32 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.502 177.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.26 -18.1 39.55 Favored Glycine 0 CA--C 1.503 -0.671 0 C-N-CA 120.382 -0.914 . . . . 0.0 112.814 -179.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -66.99 141.93 57.42 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -119.53 149.77 41.36 Favored 'General case' 0 N--CA 1.444 -0.76 0 O-C-N 123.705 0.628 . . . . 0.0 110.631 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -158.85 -171.95 25.33 Favored Glycine 0 N--CA 1.439 -1.146 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -177.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -122.45 146.49 47.32 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.6 ' HE1' ' HB3' ' A' ' 48' ' ' SER . 61.5 t80 -92.31 124.1 36.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.838 178.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 46' ' ' ARG . 51.1 mtp180 -106.71 -55.63 2.3 Favored 'General case' 0 C--N 1.315 -0.931 0 O-C-N 123.709 0.631 . . . . 0.0 112.102 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -149.5 148.56 29.55 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-O 121.252 0.549 . . . . 0.0 110.742 -172.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.6 ' HB3' ' HE1' ' A' ' 45' ' ' PHE . 28.5 p . . . . . 0 N--CA 1.449 -0.504 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.65 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.573 ' HA ' ' HD1' ' A' ' 70' ' ' TRP . 41.2 Cg_exo . . . . . 0 CA--C 1.541 0.871 0 N-CA-C 115.979 1.492 . . . . 0.0 115.979 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -47.79 116.38 1.87 Allowed 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.789 2.326 . . . . 0.0 114.012 -176.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.56 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 5.6 p -130.14 133.92 63.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 123.771 0.669 . . . . 0.0 109.842 178.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -98.05 111.7 23.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.22 0.534 . . . . 0.0 110.16 -173.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.5 t -120.68 139.03 49.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.697 -176.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -91.21 114.03 26.45 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 174.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.479 ' CH2' ' HB2' ' A' ' 30' ' ' MET . 96.3 m95 -95.55 117.87 31.22 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.679 -178.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -76.56 -37.25 56.9 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.577 -171.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.18 -32.34 73.98 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.931 -175.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.2 p -95.51 -46.76 6.53 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.394 175.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 104.08 20.83 10.05 Favored Glycine 0 C--O 1.225 -0.426 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.703 176.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -129.69 148.48 51.58 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 117.053 0.427 . . . . 0.0 111.094 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.8 p -79.2 137.83 37.59 Favored 'General case' 0 C--O 1.249 1.028 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.48 171.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -144.99 141.34 28.86 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-O 120.463 0.173 . . . . 0.0 111.165 -174.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.56 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 27.9 m-90 -90.0 115.45 27.3 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 178.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.613 HG12 ' H ' ' A' ' 69' ' ' HIS . 1.3 t -106.38 -154.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 123.4 0.68 . . . . 0.0 109.476 -176.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.713 ' HB2' ' HG3' ' A' ' 72' ' ' MET . 46.2 m-70 -136.46 133.9 37.08 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 105.448 -2.056 . . . . 0.0 105.448 -176.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.573 ' HD1' ' HA ' ' A' ' 53' ' ' PRO . 97.6 m95 -43.55 -51.85 6.56 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -176.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -76.75 1.21 17.88 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -174.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.713 ' HG3' ' HB2' ' A' ' 69' ' ' HIS . 53.6 mtp -95.63 -8.05 35.94 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.557 -0.715 . . . . 0.0 109.67 177.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.1 mt -101.07 136.92 40.15 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.554 -175.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.455 ' HB2' HD21 ' A' ' 31' ' ' LEU . 43.9 tt0 -108.13 138.24 44.73 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 173.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.596 HG22 HD23 ' A' ' 22' ' ' LEU . 36.8 pt -98.27 130.61 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.898 0 CA-C-O 121.075 0.464 . . . . 0.0 111.309 -174.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.926 HD21 ' HB2' ' A' ' 29' ' ' ARG . 2.6 mm? . . . . . 0 C--O 1.24 0.562 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 172.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 77.8 t80 . . . . . 0 CA--C 1.514 -0.411 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.536 ' HB1' ' HB2' ' A' ' 70' ' ' TRP . . . -62.63 -38.84 91.8 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 123.497 0.719 . . . . 0.0 111.231 177.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 pp -74.74 -28.71 60.89 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-O 121.67 0.747 . . . . 0.0 110.244 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -64.47 -53.77 43.07 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.132 176.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.4 m -69.44 -31.75 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.902 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.273 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 47.0 ttp180 -50.4 -54.13 24.15 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 122.925 0.49 . . . . 0.0 110.751 176.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -75.77 -11.97 60.09 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.572 -175.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.5 m -99.09 -16.88 18.48 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 121.524 0.678 . . . . 0.0 110.457 -179.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.532 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 26.0 tp -85.72 105.96 16.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.161 -176.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -92.35 149.41 38.33 Favored Pre-proline 0 C--O 1.238 0.485 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.081 177.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -55.99 126.08 21.2 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.775 2.317 . . . . 0.0 112.23 175.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.57 -19.08 24.37 Favored Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 120.533 -0.842 . . . . 0.0 111.359 -176.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 50.7 mtt -75.92 135.68 40.1 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.539 0.685 . . . . 0.0 110.502 178.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.7 ttm-85 -82.71 144.38 30.27 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.782 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.458 ' CG2' HD11 ' A' ' 73' ' ' LEU . 27.0 m -128.69 160.09 39.63 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.479 0 CA-C-N 115.573 -0.74 . . . . 0.0 112.193 -175.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.547 ' HE ' ' HG2' ' A' ' 42' ' ' GLU . 20.7 tpp85 -121.03 133.68 55.26 Favored 'General case' 0 C--N 1.31 -1.129 0 O-C-N 124.476 1.11 . . . . 0.0 110.214 179.236 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.474 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 14.4 tpt -84.87 122.66 29.48 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.612 0.72 . . . . 0.0 110.15 176.52 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.7 mp -100.8 2.28 41.01 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.685 -175.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -144.97 156.25 43.85 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 118.081 0.4 . . . . 0.0 111.037 -176.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -91.06 122.25 33.56 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 177.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -144.92 97.28 2.99 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 123.563 0.54 . . . . 0.0 110.684 -169.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 58.05 -114.69 0.79 Allowed 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.279 0.562 . . . . 0.0 111.946 -177.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -75.79 -23.08 55.85 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.615 -174.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.47 HG22 ' HG2' ' A' ' 30' ' ' MET . 35.0 mm -95.28 147.32 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.856 -176.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.3 p -122.97 164.92 17.61 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.103 0.478 . . . . 0.0 109.907 -177.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.39 133.16 48.25 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.959 177.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.24 -15.12 57.98 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.586 -177.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -62.14 145.46 53.32 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.547 ' HG2' ' HE ' ' A' ' 29' ' ' ARG . 43.8 mt-10 -125.73 146.36 49.79 Favored 'General case' 0 CA--C 1.51 -0.562 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.412 ' HA2' ' HG3' ' A' ' 60' ' ' GLU . . . -153.46 -178.01 27.56 Favored Glycine 0 C--N 1.313 -0.698 0 C-N-CA 120.329 -0.939 . . . . 0.0 112.22 -177.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -116.58 141.03 48.72 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 115.161 -0.52 . . . . 0.0 109.644 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.532 ' CD2' ' HG ' ' A' ' 22' ' ' LEU . 60.7 t80 -93.09 124.63 37.2 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 -178.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -116.6 -43.29 2.92 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -176.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -145.09 148.87 34.13 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 119.382 -0.927 . . . . 0.0 112.158 -177.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.3 p . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.611 173.909 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.446 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 32.2 Cg_exo . . . . . 0 N--CA 1.478 0.592 0 N-CA-C 114.62 0.969 . . . . 0.0 114.62 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 31.5 Cg_endo -65.28 135.17 41.98 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 121.454 1.436 . . . . 0.0 112.663 177.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.634 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 7.5 p -130.35 140.02 49.88 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.891 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.995 178.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.547 ' OE1' ' HB ' ' A' ' 65' ' ' THR . 5.9 tp-100 -93.49 109.05 20.65 Favored 'General case' 0 C--O 1.247 0.923 0 O-C-N 123.243 0.34 . . . . 0.0 110.58 -178.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.2 t -124.88 134.71 66.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.838 -177.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -88.71 103.93 16.41 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.469 175.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.476 ' CD1' ' HB3' ' A' ' 66' ' ' TYR . 98.9 m95 -83.32 117.55 23.07 Favored 'General case' 0 C--N 1.311 -1.08 0 O-C-N 123.668 0.605 . . . . 0.0 111.016 -175.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.412 ' HG3' ' HA2' ' A' ' 43' ' ' GLY . 43.8 mt-10 -69.29 -34.7 75.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.065 -172.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 m -64.56 -40.1 94.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.696 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.3 p -87.76 -36.52 17.27 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.228 0.537 . . . . 0.0 110.547 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.16 26.07 29.59 Favored Glycine 0 N--CA 1.46 0.269 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.086 178.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -147.2 165.13 30.96 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 121.257 -0.177 . . . . 0.0 110.846 -178.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.547 ' HB ' ' OE1' ' A' ' 56' ' ' GLN . 16.5 p -86.23 141.97 28.92 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 123.244 0.34 . . . . 0.0 111.576 179.252 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.476 ' HB3' ' CD1' ' A' ' 59' ' ' TRP . 72.3 t80 -146.26 143.73 29.38 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.921 -176.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.634 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 9.9 m-90 -93.63 116.17 28.66 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.927 0.767 . . . . 0.0 109.409 176.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.44 HG21 ' HZ2' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -114.93 -178.51 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -175.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.602 ' O ' ' HG2' ' A' ' 72' ' ' MET . 30.0 m-70 -109.2 136.12 49.2 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.068 174.384 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.536 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . 89.3 m95 -52.05 -43.0 63.57 Favored 'General case' 0 C--O 1.223 -0.316 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -174.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -71.83 -4.98 31.05 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -169.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.602 ' HG2' ' O ' ' A' ' 69' ' ' HIS . 20.9 ptp -111.31 9.44 21.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.907 0.86 . . . . 0.0 109.714 176.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.458 HD11 ' CG2' ' A' ' 28' ' ' VAL . 51.5 tp -118.37 135.46 54.31 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.138 -175.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -111.74 142.96 43.42 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-O 121.762 0.791 . . . . 0.0 110.704 179.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.0 tt -98.3 124.7 51.55 Favored 'Isoleucine or valine' 0 C--O 1.245 0.852 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.653 -174.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.6 mp . . . . . 0 CA--C 1.508 -0.653 0 C-N-CA 122.806 0.442 . . . . 0.0 110.777 177.814 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 64.1 t80 . . . . . 0 CA--C 1.51 -0.589 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.546 ' HB1' ' HB2' ' A' ' 70' ' ' TRP . . . -61.07 -30.59 70.42 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.925 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.2 tp -73.51 -41.48 63.02 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.452 0.644 . . . . 0.0 110.575 -178.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -66.74 -51.47 55.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.769 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.2 m -58.95 -41.74 83.99 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -178.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.47 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 7.0 ptm180 -71.88 -20.59 61.78 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-O 120.744 0.307 . . . . 0.0 111.611 -179.118 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -75.58 -35.89 60.48 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.819 178.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 m -82.51 -34.41 27.94 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 120.676 0.274 . . . . 0.0 110.279 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.68 ' HA ' ' SD ' ' A' ' 26' ' ' MET . 38.7 tp -71.79 96.67 1.67 Allowed 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.114 -177.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.415 ' O ' ' HB2' ' A' ' 26' ' ' MET . 18.4 mt-30 -86.48 162.36 45.64 Favored Pre-proline 0 N--CA 1.448 -0.565 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.788 178.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.423 ' HA ' ' CD2' ' A' ' 45' ' ' PHE . 35.8 Cg_exo -57.84 124.52 16.19 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.909 2.406 . . . . 0.0 111.647 176.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.08 -5.46 61.34 Favored Glycine 0 CA--C 1.508 -0.351 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.628 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.68 ' SD ' ' HA ' ' A' ' 22' ' ' LEU . 8.6 ttt -74.91 134.45 41.59 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.416 0.627 . . . . 0.0 109.949 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.598 ' HG3' ' O ' ' A' ' 43' ' ' GLY . 35.1 ttm180 -76.16 141.73 41.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.894 178.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.485 HG21 HG11 ' A' ' 57' ' ' VAL . 34.7 m -119.84 161.78 18.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.087 -173.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -121.42 122.58 40.11 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.127 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.533 ' HG2' HG22 ' A' ' 37' ' ' ILE . 10.6 tpt -74.51 108.73 7.46 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-O 122.084 0.945 . . . . 0.0 109.206 176.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 31' ' ' LEU . 0.6 OUTLIER -89.01 -28.22 20.33 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.458 -1.246 . . . . 0.0 111.434 -171.291 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.542 ' HB3' ' HB2' ' A' ' 72' ' ' MET . 18.8 t70 -135.7 138.73 43.06 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -178.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -75.88 145.79 40.25 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.258 0.552 . . . . 0.0 110.438 -173.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.685 ' HB2' ' HE1' ' A' ' 72' ' ' MET . 17.8 t80 -155.69 108.96 2.74 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.876 -176.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 54.29 -110.64 0.57 Allowed 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 114.855 -1.066 . . . . 0.0 112.648 176.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -72.47 -28.4 62.89 Favored 'General case' 0 CA--C 1.505 -0.765 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -178.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.533 HG22 ' HG2' ' A' ' 30' ' ' MET . 20.9 mm -98.69 147.59 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 CA-C-O 121.192 0.52 . . . . 0.0 109.697 -174.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 71.2 m -126.05 166.03 17.74 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -177.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.36 137.77 54.86 Favored 'General case' 0 N--CA 1.438 -1.042 0 O-C-N 122.157 -0.339 . . . . 0.0 110.745 -176.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.5 -14.89 57.78 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 121.237 -0.506 . . . . 0.0 112.754 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.461 ' CG ' ' HB3' ' A' ' 61' ' ' SER . 3.7 t70 -68.53 142.1 55.34 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 177.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -118.18 147.83 42.97 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 -178.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.598 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -159.11 -171.76 25.33 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.301 -0.952 . . . . 0.0 111.98 -176.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -125.19 144.14 50.59 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -178.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.423 ' CD2' ' HA ' ' A' ' 24' ' ' PRO . 49.5 t80 -86.59 118.13 25.81 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.442 -175.345 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.464 HH11 ' HD3' ' A' ' 46' ' ' ARG . 23.9 mmt-85 -85.25 -55.75 3.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.842 -0.163 . . . . 0.0 111.388 -178.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.72 170.8 1.93 Allowed 'General case' 0 CA--C 1.541 0.605 0 O-C-N 123.503 0.502 . . . . 0.0 110.731 -173.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.4 p . . . . . 0 C--N 1.309 -1.155 0 O-C-N 123.945 0.778 . . . . 0.0 109.325 179.746 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.506 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 26.1 Cg_exo . . . . . 0 CA--C 1.526 0.125 0 N-CA-C 114.587 0.957 . . . . 0.0 114.587 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 29.5 Cg_endo -62.56 130.94 31.59 Favored 'Trans proline' 0 C--N 1.368 1.601 0 C-N-CA 121.445 1.43 . . . . 0.0 113.048 178.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.728 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 4.6 p -130.38 139.89 50.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.195 -178.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -95.4 108.55 20.76 Favored 'General case' 0 N--CA 1.434 -1.247 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.524 -177.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.485 HG11 HG21 ' A' ' 28' ' ' VAL . 70.5 t -124.29 138.46 53.77 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 -175.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -97.96 123.28 41.89 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 176.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -95.14 112.87 24.52 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 -176.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.444 ' HG3' ' HA2' ' A' ' 43' ' ' GLY . 41.3 mt-10 -76.13 -17.59 59.52 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 124.1 0.875 . . . . 0.0 111.256 -169.523 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.461 ' HB3' ' CG ' ' A' ' 41' ' ' ASP . 25.9 t -79.89 -26.38 40.27 Favored 'General case' 0 N--CA 1.447 -0.621 0 O-C-N 123.556 0.535 . . . . 0.0 109.845 -178.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.1 p -105.27 -49.41 3.46 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-O 121.096 0.474 . . . . 0.0 111.353 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.58 16.21 14.99 Favored Glycine 0 CA--C 1.508 -0.389 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -173.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -114.16 139.86 49.0 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.488 -0.19 . . . . 0.0 110.488 -178.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.25 139.52 30.41 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 166.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -151.91 148.48 27.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.687 -175.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.728 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -93.12 116.21 28.82 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 121.418 0.627 . . . . 0.0 109.816 179.219 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.488 HG12 ' H ' ' A' ' 69' ' ' HIS . 3.5 t -109.21 176.29 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 -176.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.529 ' O ' ' HG2' ' A' ' 72' ' ' MET . 21.7 m-70 -107.82 136.79 46.96 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 121.197 -0.201 . . . . 0.0 110.912 172.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.573 ' HZ3' HD23 ' A' ' 22' ' ' LEU . 85.3 m95 -54.4 -35.55 62.99 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -172.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -79.24 2.76 20.06 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -171.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.685 ' HE1' ' HB2' ' A' ' 34' ' ' TYR . 22.3 ptm -122.0 14.44 10.68 Favored 'General case' 0 C--O 1.241 0.657 0 C-N-CA 120.303 -0.559 . . . . 0.0 111.247 177.128 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 70' ' ' TRP . 4.0 pp -118.7 149.33 41.61 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.532 0.682 . . . . 0.0 111.653 177.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.49 140.24 38.89 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.414 175.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.413 HD11 ' CE ' ' A' ' 26' ' ' MET . 0.0 OUTLIER -94.75 119.4 42.72 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 C-N-CA 122.676 0.39 . . . . 0.0 110.826 -177.578 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.6 mt . . . . . 0 CA--C 1.511 -0.52 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 178.825 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 . . . . . 0 N--CA 1.446 -0.646 0 CA-C-O 121.897 0.856 . . . . 0.0 109.667 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.554 ' O ' ' HG3' ' A' ' 19' ' ' ARG . . . -61.56 -32.32 72.4 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 113.754 -1.566 . . . . 0.0 111.833 -178.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 19' ' ' ARG . 45.9 tp -73.86 -48.68 29.4 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.232 178.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -60.45 -53.89 52.12 Favored 'General case' 0 CA--C 1.514 -0.418 0 O-C-N 123.352 0.408 . . . . 0.0 110.975 -177.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.419 ' HB ' HD23 ' A' ' 22' ' ' LEU . 35.7 m -54.53 -29.48 20.46 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.668 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -177.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.554 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 56.4 mtp180 -55.23 -37.76 67.61 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 177.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.1 -24.98 62.41 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -175.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.3 m -103.79 -17.72 14.95 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 122.35 -0.219 . . . . 0.0 110.974 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.495 HD22 HD12 ' A' ' 75' ' ' ILE . 0.9 OUTLIER -77.49 66.08 3.15 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.57 ' HG2' ' HE2' ' A' ' 26' ' ' MET . 2.4 pt20 -75.22 161.82 75.53 Favored Pre-proline 0 N--CA 1.444 -0.738 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.641 176.1 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -56.5 103.77 0.13 Allowed 'Trans proline' 0 C--O 1.24 0.616 0 C-N-CA 122.156 1.904 . . . . 0.0 111.321 171.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 130.44 -3.5 5.83 Favored Glycine 0 C--N 1.315 -0.637 0 N-CA-C 111.707 -0.557 . . . . 0.0 111.707 -177.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.57 ' HE2' ' HG2' ' A' ' 23' ' ' GLN . 23.9 mmt -90.26 110.22 21.28 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.145 0.497 . . . . 0.0 111.266 179.105 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.434 ' HD2' ' OE1' ' A' ' 60' ' ' GLU . 26.2 mtm180 -71.51 148.17 47.02 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.751 0.786 . . . . 0.0 110.757 174.189 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.56 ' HB ' ' HB2' ' A' ' 73' ' ' LEU . 35.8 m -124.68 157.15 32.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.494 -176.214 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -127.92 130.29 48.23 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.13 0.491 . . . . 0.0 110.613 176.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.486 ' SD ' ' HB3' ' A' ' 72' ' ' MET . 13.6 tpt -72.19 120.13 17.36 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.102 -176.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.642 HD21 ' HB2' ' A' ' 74' ' ' GLU . 95.7 mt -84.13 -33.33 24.32 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.54 -176.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.437 ' O ' ' HG3' ' A' ' 30' ' ' MET . 37.1 t70 -123.64 157.99 32.55 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.393 -176.277 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.555 ' HA ' ' HA ' ' A' ' 38' ' ' SER . 5.8 p-10 -82.83 134.73 35.09 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -157.96 108.07 2.14 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.068 -176.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 63.0 -118.86 0.55 Allowed 'General case' 0 C--N 1.322 -0.598 0 O-C-N 124.32 1.012 . . . . 0.0 110.963 175.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -73.61 -25.96 60.56 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.415 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 23.5 mm -99.91 150.81 5.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 O-C-N 123.543 0.527 . . . . 0.0 111.04 -173.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.555 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 60.0 p -132.55 172.36 12.61 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -176.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.23 128.47 35.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.016 0.436 . . . . 0.0 110.72 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.66 -20.65 33.9 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.254 -0.974 . . . . 0.0 113.462 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -61.56 136.75 58.13 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.969 0.384 . . . . 0.0 110.629 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -109.85 147.01 34.1 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 120.961 0.41 . . . . 0.0 110.023 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.465 ' HA2' ' HG3' ' A' ' 60' ' ' GLU . . . -153.71 171.28 32.47 Favored Glycine 0 C--O 1.218 -0.897 0 C-N-CA 119.895 -1.145 . . . . 0.0 112.727 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -106.12 139.21 40.99 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 178.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -84.76 117.34 23.77 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -179.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.552 ' HD2' ' HB2' ' A' ' 58' ' ' PHE . 47.3 mtp85 -91.24 -51.19 5.43 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 119.929 -0.708 . . . . 0.0 110.648 179.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.5 HE21 ' HB3' ' A' ' 56' ' ' GLN . 0.7 OUTLIER 175.46 171.38 0.32 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.673 0.789 . . . . 0.0 109.459 178.197 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.469 ' HA ' ' HA ' ' A' ' 55' ' ' VAL . 9.1 p . . . . . 0 C--N 1.328 -0.327 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -179.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.552 ' HA ' ' HD1' ' A' ' 70' ' ' TRP . 2.9 Cg_exo . . . . . 0 CA--C 1.549 1.237 0 N-CA-C 116.141 1.554 . . . . 0.0 116.141 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -60.32 116.94 3.67 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 121.394 1.396 . . . . 0.0 112.584 174.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.503 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 13.7 p -129.54 139.88 50.55 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.414 -177.046 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.5 ' HB3' HE21 ' A' ' 47' ' ' GLN . 47.7 tt0 -100.62 115.98 31.47 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -177.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.6 t -124.01 131.11 73.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 O-C-N 124.243 0.964 . . . . 0.0 110.913 -173.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.552 ' HB2' ' HD2' ' A' ' 46' ' ' ARG . 79.4 t80 -88.05 117.96 27.28 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 176.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.437 ' HZ2' HG21 ' A' ' 68' ' ' VAL . 98.9 m95 -94.44 118.95 32.43 Favored 'General case' 0 C--N 1.31 -1.142 0 C-N-CA 120.326 -0.55 . . . . 0.0 111.456 -175.168 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.465 ' HG3' ' HA2' ' A' ' 43' ' ' GLY . 32.1 mt-10 -68.76 -47.37 66.39 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 124.552 1.157 . . . . 0.0 111.089 -173.042 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.7 p -61.66 -33.18 73.5 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.611 -176.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.9 m -85.4 -61.11 1.84 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.275 0.56 . . . . 0.0 110.138 176.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.04 11.65 12.12 Favored Glycine 0 C--N 1.31 -0.863 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.731 -177.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -132.33 155.49 48.29 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.45 ' HA ' ' HA ' ' A' ' 58' ' ' PHE . 19.4 m -92.97 148.34 22.08 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.831 177.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -150.24 147.72 28.02 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 122.03 -0.419 . . . . 0.0 110.881 -173.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.503 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 5.0 m-90 -90.14 117.6 29.03 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 175.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.448 HG12 ' H ' ' A' ' 69' ' ' HIS . 0.7 OUTLIER -119.02 -175.21 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.508 ' HB2' ' SD ' ' A' ' 72' ' ' MET . 21.8 m170 -105.28 139.81 39.37 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 170.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.552 ' HD1' ' HA ' ' A' ' 53' ' ' PRO . 86.5 m95 -47.13 -39.62 13.85 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 -176.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 -75.41 0.17 17.9 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.445 -0.502 . . . . 0.0 112.226 -174.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.508 ' SD ' ' HB2' ' A' ' 69' ' ' HIS . 0.8 OUTLIER -83.75 -28.7 28.02 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-O 121.21 0.529 . . . . 0.0 111.064 174.43 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.56 ' HB2' ' HB ' ' A' ' 28' ' ' VAL . 3.6 pp -105.42 146.84 28.94 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 121.209 0.528 . . . . 0.0 112.071 -171.207 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.642 ' HB2' HD21 ' A' ' 31' ' ' LEU . 43.2 tt0 -104.64 143.09 33.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 113.963 -1.471 . . . . 0.0 108.766 174.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.495 HD12 HD22 ' A' ' 22' ' ' LEU . 5.7 tt -91.48 109.18 20.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.092 0.472 . . . . 0.0 111.361 -176.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 N--CA 1.445 -0.696 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 172.431 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 75.1 t80 . . . . . 0 C--O 1.244 0.785 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.416 ' HA ' HG22 ' A' ' 18' ' ' VAL . . . -65.42 -22.34 66.76 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 122.7 0.4 . . . . 0.0 111.423 176.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.7 tp -72.23 -43.56 64.23 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -61.04 -48.22 82.77 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.876 -178.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.554 ' O ' ' HB3' ' A' ' 22' ' ' LEU . 28.4 m -61.07 -38.73 80.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.285 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -42.45 95.73 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 122.085 0.945 . . . . 0.0 109.626 175.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -64.59 -54.95 23.97 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.875 -176.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.8 m -90.92 -39.3 12.35 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -171.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.554 ' HB3' ' O ' ' A' ' 18' ' ' VAL . 54.3 tp -79.17 99.3 6.93 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.749 0.785 . . . . 0.0 109.852 -176.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.415 ' H ' ' HE2' ' A' ' 26' ' ' MET . 20.0 mt-30 -88.21 164.22 34.01 Favored Pre-proline 0 C--N 1.313 -1.012 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.746 -177.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.688 ' HA ' ' CD1' ' A' ' 45' ' ' PHE . 7.9 Cg_exo -71.05 99.62 0.9 Allowed 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.574 2.183 . . . . 0.0 112.299 178.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 147.69 -32.16 1.34 Allowed Glycine 0 C--O 1.222 -0.595 0 CA-C-N 115.65 -0.705 . . . . 0.0 112.127 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.415 ' HE2' ' H ' ' A' ' 23' ' ' GLN . 69.1 mtm -76.51 160.83 29.13 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.38 0.61 . . . . 0.0 112.567 -177.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.608 ' HG2' HD21 ' A' ' 76' ' ' LEU . 21.9 ttm105 -80.46 146.77 31.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.967 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.411 HG21 HG11 ' A' ' 57' ' ' VAL . 23.8 m -124.79 151.02 29.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-O 121.757 0.789 . . . . 0.0 109.277 -178.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.516 ' CZ ' ' HA2' ' A' ' 40' ' ' GLY . 2.7 tmt_? -117.14 126.98 53.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.045 177.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.567 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . 12.6 tpt -80.23 109.78 15.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.056 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.567 ' CD2' ' HB2' ' A' ' 74' ' ' GLU . 0.3 OUTLIER -96.38 4.81 51.97 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -175.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.483 ' HB3' ' SD ' ' A' ' 72' ' ' MET . 2.1 t0 -145.45 170.0 17.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 121.913 -0.492 . . . . 0.0 111.445 -176.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -102.02 126.57 48.98 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -156.0 99.24 1.95 Allowed 'General case' 0 C--O 1.22 -0.452 0 C-N-CA 120.037 -0.665 . . . . 0.0 111.552 -176.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 55.57 -105.57 0.28 Allowed 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 114.835 -1.075 . . . . 0.0 112.258 172.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -64.35 -36.05 82.88 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.897 -177.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.515 HG22 ' HG2' ' A' ' 30' ' ' MET . 25.6 mm -109.96 153.97 11.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-O 121.217 0.532 . . . . 0.0 109.978 -171.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.8 t -125.3 164.6 20.01 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.092 -177.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.52 130.3 43.18 Favored 'General case' 0 C--O 1.249 1.047 0 CA-C-O 120.879 0.371 . . . . 0.0 110.256 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.516 ' HA2' ' CZ ' ' A' ' 29' ' ' ARG . . . 107.09 -14.43 40.41 Favored Glycine 0 N--CA 1.431 -1.693 0 C-N-CA 121.214 -0.517 . . . . 0.0 112.566 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -71.29 151.7 43.97 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.993 -0.71 . . . . 0.0 110.309 176.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -129.7 155.79 45.33 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.285 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.557 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -160.82 -174.88 31.21 Favored Glycine 0 N--CA 1.434 -1.477 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.591 -178.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -123.6 141.4 52.05 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 124.294 0.644 . . . . 0.0 109.609 -177.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.688 ' CD1' ' HA ' ' A' ' 24' ' ' PRO . 7.0 t80 -82.28 115.18 21.23 Favored 'General case' 0 C--O 1.244 0.793 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -174.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -84.27 -53.54 5.41 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 121.679 -0.638 . . . . 0.0 110.328 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -173.2 164.93 4.84 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.284 -176.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.526 ' HB3' ' HZ ' ' A' ' 45' ' ' PHE . 21.4 p . . . . . 0 N--CA 1.445 -0.716 0 CA-C-O 120.761 0.315 . . . . 0.0 110.291 -178.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.561 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 52.3 Cg_exo . . . . . 0 CA--C 1.549 1.245 0 N-CA-C 115.11 1.158 . . . . 0.0 115.11 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 0.9 OUTLIER -42.42 123.79 2.91 Favored 'Trans proline' 0 C--N 1.366 1.471 0 C-N-CA 122.949 2.433 . . . . 0.0 113.858 -175.076 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.635 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 5.6 p -129.29 137.25 57.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.582 179.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -96.66 107.49 19.94 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.815 0.341 . . . . 0.0 110.594 -174.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.411 HG11 HG21 ' A' ' 28' ' ' VAL . 72.8 t -122.26 136.58 58.66 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.172 0 CA-C-N 116.74 -0.209 . . . . 0.0 110.498 -178.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -93.83 116.82 29.32 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 176.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.567 ' CZ3' ' HB2' ' A' ' 30' ' ' MET . 98.2 m95 -90.21 110.36 21.4 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 121.729 0.776 . . . . 0.0 110.631 -177.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.545 ' HG3' ' HA2' ' A' ' 43' ' ' GLY . 41.1 mt-10 -73.31 -34.17 65.56 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.057 -170.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 45.5 t -62.75 -33.62 75.53 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.639 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.5 m -96.88 -48.84 5.28 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.27 -178.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.77 19.52 9.62 Favored Glycine 0 N--CA 1.451 -0.315 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 178.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -132.17 148.56 52.47 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 122.419 -0.459 . . . . 0.0 110.447 -177.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.94 142.62 32.28 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.606 171.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -148.74 146.29 28.02 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.635 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 24.1 m-90 -92.62 114.53 27.11 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 176.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.566 HG12 ' H ' ' A' ' 69' ' ' HIS . 1.0 OUTLIER -101.64 -156.39 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.306 -1.306 0 C-N-CA 123.723 0.809 . . . . 0.0 109.795 -172.26 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.566 ' H ' HG12 ' A' ' 68' ' ' VAL . 73.5 m-70 -137.88 135.52 36.22 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 -170.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -48.74 -50.25 34.62 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 26.5 p80 -68.29 -11.11 58.9 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.69 -0.631 . . . . 0.0 111.658 -177.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.483 ' SD ' ' HB3' ' A' ' 32' ' ' ASP . 47.9 tpp -95.51 -10.94 28.35 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -176.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.1 mt -103.94 132.83 49.81 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 120.891 -0.324 . . . . 0.0 111.551 -173.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.567 ' HB2' ' CD2' ' A' ' 31' ' ' LEU . 37.6 tt0 -109.04 145.63 35.28 Favored 'General case' 0 C--O 1.225 -0.211 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 171.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.8 tt -107.14 121.65 60.26 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.127 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.712 -179.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.608 HD21 ' HG2' ' A' ' 27' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.223 0 C-N-CA 119.991 -0.683 . . . . 0.0 110.614 178.238 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.3 t80 . . . . . 0 C--O 1.213 -0.826 0 CA-C-O 121.135 0.493 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.77 -31.24 72.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.826 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 68.3 tp -73.72 -45.33 52.78 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 121.259 0.552 . . . . 0.0 110.215 177.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -56.15 -53.94 51.14 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.885 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.41 HG12 HD13 ' A' ' 75' ' ' ILE . 22.3 m -63.79 -43.31 97.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -178.26 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -69.53 -22.65 63.56 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 118.151 0.432 . . . . 0.0 111.046 -176.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -66.39 -44.96 81.64 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.777 178.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.2 t -94.03 -28.47 15.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.676 -175.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.644 HD22 HG22 ' A' ' 75' ' ' ILE . 16.9 tp -77.54 97.64 5.1 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.477 0.656 . . . . 0.0 111.037 -174.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -93.09 154.75 41.63 Favored Pre-proline 0 N--CA 1.446 -0.636 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.521 178.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -49.18 120.77 5.96 Favored 'Trans proline' 0 C--O 1.246 0.878 0 C-N-CA 122.948 2.432 . . . . 0.0 111.81 173.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.65 -12.01 20.96 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.643 -0.789 . . . . 0.0 111.798 -176.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.408 ' SD ' ' HA ' ' A' ' 22' ' ' LEU . 49.2 mtt -89.1 123.27 33.22 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.322 0.582 . . . . 0.0 111.312 172.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 37.9 mtm180 -77.43 149.02 35.15 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.986 0.898 . . . . 0.0 111.804 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.9 m -122.08 161.75 22.46 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.519 0 CA-C-N 114.452 -1.249 . . . . 0.0 111.991 -177.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.453 ' HB2' HD21 ' A' ' 76' ' ' LEU . 45.0 ttm-85 -123.09 136.68 54.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.179 176.134 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.545 ' HG2' HG22 ' A' ' 37' ' ' ILE . 15.0 tpt -89.07 125.75 35.15 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.913 -0.492 . . . . 0.0 110.42 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 31' ' ' LEU . 4.1 mm? -112.7 -3.58 14.23 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.371 -175.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -124.0 163.55 21.17 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 118.209 0.459 . . . . 0.0 110.52 -176.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -88.59 118.87 28.55 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 176.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.45 ' HB2' ' CE ' ' A' ' 30' ' ' MET . 5.9 t80 -127.49 178.97 5.74 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.441 -174.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 1.4 mp0 -70.03 91.72 0.7 Allowed 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.795 -176.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.472 ' HB2' ' O ' ' A' ' 35' ' ' GLU . 42.7 mt-10 95.84 -26.61 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.574 0 O-C-N 124.91 1.381 . . . . 0.0 110.153 175.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.545 HG22 ' HG2' ' A' ' 30' ' ' MET . 42.5 mm -97.78 144.95 10.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 177.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.7 m -132.35 174.87 9.8 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 -175.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.3 131.86 46.58 Favored 'General case' 0 N--CA 1.436 -1.131 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.106 -178.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.5 -18.76 37.77 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.762 178.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -63.16 136.89 58.02 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 117.518 0.659 . . . . 0.0 110.939 177.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 42.0 mt-10 -104.63 142.32 34.88 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.942 176.241 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -143.14 162.2 27.55 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 119.578 -1.296 . . . . 0.0 112.371 -178.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -103.03 135.76 44.12 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -88.78 114.12 25.06 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 -177.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -83.54 -56.43 3.74 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.453 -177.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -178.35 172.54 1.49 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.843 -172.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.5 m . . . . . 0 C--O 1.248 1.003 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.318 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.495 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 2.1 Cg_endo . . . . . 0 CA--C 1.546 1.108 0 N-CA-C 117.936 2.245 . . . . 0.0 117.936 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 3.9 Cg_endo -44.8 142.32 5.16 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 121.58 1.52 . . . . 0.0 114.352 178.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.685 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 12.6 p -133.14 141.31 45.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-N 114.174 -1.375 . . . . 0.0 108.697 -174.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.416 ' HA ' ' OE1' ' A' ' 56' ' ' GLN . 6.1 tp60 -92.32 108.13 19.73 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.422 -176.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 98.9 t -124.87 136.53 60.51 Favored 'Isoleucine or valine' 0 C--O 1.241 0.635 0 CA-C-O 121.395 0.616 . . . . 0.0 110.4 -175.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.427 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 82.3 t80 -93.2 118.76 31.61 Favored 'General case' 0 N--CA 1.44 -0.933 0 O-C-N 121.865 -0.522 . . . . 0.0 110.645 175.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.522 ' HZ2' HG21 ' A' ' 68' ' ' VAL . 95.6 m95 -95.74 114.36 26.09 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.118 0.485 . . . . 0.0 109.807 -178.075 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 8.5 pt-20 -72.82 -29.82 63.55 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.976 -170.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.2 p -61.95 -35.42 78.4 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 124.055 0.847 . . . . 0.0 111.703 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.7 p -104.25 -25.66 12.8 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.66 178.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.24 16.91 65.83 Favored Glycine 0 CA--C 1.521 0.424 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.855 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -117.46 143.0 46.47 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-O 120.956 0.407 . . . . 0.0 110.807 -176.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 58' ' ' PHE . 16.3 p -83.85 143.25 30.04 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.005 169.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.412 ' HE2' ' CE2' ' A' ' 34' ' ' TYR . 27.3 t80 -153.95 147.69 25.32 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.433 0.159 . . . . 0.0 111.116 -177.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.685 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 24.5 m-90 -91.17 115.03 27.7 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 179.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.536 HG12 ' H ' ' A' ' 69' ' ' HIS . 2.0 t -116.87 -179.61 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -177.585 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.599 ' O ' ' HG2' ' A' ' 72' ' ' MET . 14.8 m-70 -109.18 138.35 45.66 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.634 175.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 64.9 m95 -51.33 -38.9 55.5 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -177.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.421 ' HD2' ' HB3' ' A' ' 69' ' ' HIS . 2.9 p80 -69.67 -4.88 21.45 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -168.234 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.599 ' HG2' ' O ' ' A' ' 69' ' ' HIS . 5.1 ptm -120.42 11.91 11.53 Favored 'General case' 0 C--O 1.24 0.577 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.953 -177.189 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.8 mp -117.0 145.5 43.63 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.125 0.488 . . . . 0.0 110.231 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -102.43 139.61 37.8 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 172.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.644 HG22 HD22 ' A' ' 22' ' ' LEU . 21.8 pt -99.08 130.44 48.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -176.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.453 HD21 ' HB2' ' A' ' 29' ' ' ARG . 3.7 mm? . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.378 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 68.7 t80 . . . . . 0 C--O 1.226 -0.159 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' ' 19' ' ' ARG . . . -67.77 -25.33 65.55 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 114.801 -1.09 . . . . 0.0 111.134 178.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 36.1 tp -75.76 -49.66 17.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.162 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -56.97 -55.3 36.42 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.365 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.674 ' HB ' HD11 ' A' ' 75' ' ' ILE . 34.2 m -59.48 -35.89 61.42 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.508 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.794 -179.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 36.2 ttm180 -52.87 -40.68 63.63 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -179.094 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -63.36 -42.72 98.91 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 121.37 0.605 . . . . 0.0 111.009 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.1 m -79.42 -25.22 42.08 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.58 0.705 . . . . 0.0 110.69 -177.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.655 HD12 ' HB2' ' A' ' 26' ' ' MET . 30.1 tp -80.15 88.86 5.42 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-O 121.488 0.661 . . . . 0.0 110.984 -174.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.708 ' N ' HE21 ' A' ' 23' ' ' GLN . 0.0 OUTLIER -94.51 158.58 35.33 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.72 173.256 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -53.23 115.58 2.38 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.054 1.836 . . . . 0.0 111.695 173.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.62 -17.67 10.18 Favored Glycine 0 N--CA 1.449 -0.446 0 O-C-N 123.681 0.613 . . . . 0.0 111.72 -176.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.655 ' HB2' HD12 ' A' ' 22' ' ' LEU . 17.3 mmt -71.11 133.7 46.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.157 0.503 . . . . 0.0 111.253 176.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.421 ' HA ' ' HA ' ' A' ' 44' ' ' GLU . 2.5 mpt_? -83.55 148.05 27.42 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.107 174.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.8 m -125.59 156.09 35.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -177.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -115.8 122.85 46.68 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 124.281 0.988 . . . . 0.0 109.45 177.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.504 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 9.9 tpt -74.57 119.23 18.48 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.641 HD11 ' HB2' ' A' ' 74' ' ' GLU . 96.2 mt -94.05 -18.62 21.64 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -174.26 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.445 ' O ' ' HE3' ' A' ' 30' ' ' MET . 15.8 t70 -133.38 154.52 50.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.59 -0.694 . . . . 0.0 110.25 -175.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -85.11 127.83 34.4 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.58 ' HB2' ' HE1' ' A' ' 72' ' ' MET . 87.0 t80 -149.32 100.34 3.01 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.35 0.595 . . . . 0.0 110.22 -173.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 47.91 -107.11 0.18 Allowed 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 114.316 -1.311 . . . . 0.0 112.473 -178.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -66.19 -33.7 76.35 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.816 -175.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.491 HG22 ' HG2' ' A' ' 30' ' ' MET . 18.0 mm -100.56 150.7 5.48 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 O-C-N 122.177 -0.327 . . . . 0.0 110.665 -172.078 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.7 m -122.95 166.71 14.62 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.653 -178.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.82 127.81 34.17 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.54 -19.13 39.96 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.879 -0.677 . . . . 0.0 113.134 -179.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -63.82 141.69 58.68 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 122.489 -0.418 . . . . 0.0 111.009 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -104.32 147.05 27.95 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.434 0.635 . . . . 0.0 111.094 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -151.52 -178.68 26.52 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.846 177.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.421 ' HA ' ' HA ' ' A' ' 27' ' ' ARG . 42.9 tt0 -130.78 147.4 52.44 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.902 0.382 . . . . 0.0 110.158 177.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.41 ' HE1' HG23 ' A' ' 55' ' ' VAL . 74.9 t80 -91.54 124.13 35.48 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -177.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.742 ' HD2' ' HB2' ' A' ' 58' ' ' PHE . 52.8 mtp85 -103.18 -44.17 5.27 Favored 'General case' 0 C--N 1.318 -0.794 0 O-C-N 123.486 0.491 . . . . 0.0 111.587 -177.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.506 HE21 ' HB3' ' A' ' 56' ' ' GLN . 0.8 OUTLIER -178.32 169.08 1.86 Allowed 'General case' 0 C--O 1.234 0.285 0 O-C-N 124.056 0.847 . . . . 0.0 110.732 179.104 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.538 ' HB3' HG23 ' A' ' 55' ' ' VAL . 58.0 p . . . . . 0 N--CA 1.466 0.339 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.865 -174.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo . . . . . 0 CA--C 1.558 1.717 0 N-CA-C 116.738 1.784 . . . . 0.0 116.738 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -62.3 113.99 2.15 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 121.214 1.276 . . . . 0.0 113.469 -172.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.565 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 7.9 p -125.72 134.85 65.66 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.81 176.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.506 ' HB3' HE21 ' A' ' 47' ' ' GLN . 8.5 tt0 -98.15 113.18 25.0 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.317 0.579 . . . . 0.0 110.354 -175.407 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.0 t -119.36 131.86 70.82 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.549 -177.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.742 ' HB2' ' HD2' ' A' ' 46' ' ' ARG . 69.3 t80 -84.28 103.71 13.7 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.477 175.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.504 ' CH2' ' HB2' ' A' ' 30' ' ' MET . 99.1 m95 -85.99 116.61 24.32 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 -177.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.96 -12.22 59.73 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.283 0.564 . . . . 0.0 110.03 -174.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 31.4 t -67.43 -43.77 80.39 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.147 174.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.4 p -96.51 -21.34 17.76 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.502 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.01 28.86 48.63 Favored Glycine 0 CA--C 1.502 -0.722 0 C-N-CA 120.47 -0.871 . . . . 0.0 113.115 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -152.08 165.63 34.12 Favored 'General case' 0 C--O 1.242 0.665 0 O-C-N 122.471 -0.429 . . . . 0.0 111.423 -175.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.412 HG23 ' HD1' ' A' ' 58' ' ' PHE . 1.3 p -86.78 150.17 24.34 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.909 178.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.402 ' HB3' ' CD1' ' A' ' 59' ' ' TRP . 74.8 t80 -152.45 145.72 24.72 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.673 -179.027 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.565 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 27.0 m-90 -96.43 115.9 28.19 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-O 121.137 0.494 . . . . 0.0 109.831 178.342 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.441 ' O ' HG12 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -113.96 -178.32 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 -177.311 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.601 ' O ' ' HG2' ' A' ' 72' ' ' MET . 39.8 m-70 -98.55 133.41 42.95 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 173.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 83.9 m95 -44.41 -50.44 9.27 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -70.29 -0.09 7.39 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -167.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.601 ' HG2' ' O ' ' A' ' 69' ' ' HIS . 14.9 ptm -113.48 10.71 18.26 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.927 0.785 . . . . 0.0 113.074 -174.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.474 ' N ' HD13 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -130.26 159.58 36.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.348 0.594 . . . . 0.0 112.065 173.303 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.641 ' HB2' HD11 ' A' ' 31' ' ' LEU . 45.1 tt0 -112.12 157.13 21.18 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.079 -179.037 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.674 HD11 ' HB ' ' A' ' 18' ' ' VAL . 29.2 mm -85.61 123.4 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.441 -179.344 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.2 mt . . . . . 0 N--CA 1.455 -0.217 0 CA-C-O 121.497 0.665 . . . . 0.0 109.886 172.678 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.462 ' O ' ' HB2' ' A' ' 7' ' ' GLU . 9.0 tmm? . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.545 ' C ' ' H ' ' A' ' 7' ' ' GLU . 75.7 mtt180 -58.18 -26.67 63.06 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 122.037 -0.414 . . . . 0.0 111.64 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -68.36 14.56 0.07 Allowed 'General case' 0 CA--C 1.549 0.933 0 CA-C-O 121.407 0.622 . . . . 0.0 110.909 174.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.545 ' H ' ' C ' ' A' ' 5' ' ' ARG . 27.9 tt0 -52.98 -20.68 3.6 Favored 'General case' 0 C--O 1.245 0.836 0 C-N-CA 124.604 1.162 . . . . 0.0 112.342 -177.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.425 ' CG ' ' HB ' ' A' ' 13' ' ' THR . 91.9 m-85 -53.14 159.03 1.35 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 122.429 0.292 . . . . 0.0 110.849 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.83 -45.89 59.78 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -171.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.7 m -113.01 -11.21 13.41 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-O 121.8 0.81 . . . . 0.0 110.348 177.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.16 -3.11 82.35 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.315 -179.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -69.67 -28.42 65.85 Favored 'General case' 0 N--CA 1.458 -0.072 0 O-C-N 122.476 -0.426 . . . . 0.0 110.751 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.425 ' HB ' ' CG ' ' A' ' 8' ' ' PHE . 4.1 m -65.33 -31.14 72.11 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.495 0.664 . . . . 0.0 110.838 177.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.48 ' O ' HG22 ' A' ' 18' ' ' VAL . 46.3 t80 -65.89 -44.74 84.4 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.438 176.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.444 ' HA ' ' HB3' ' A' ' 70' ' ' TRP . . . -56.21 -35.78 67.71 Favored 'General case' 0 C--O 1.241 0.64 0 O-C-N 124.246 0.966 . . . . 0.0 111.511 174.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.4 tp -72.69 -46.41 53.9 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.609 0.719 . . . . 0.0 110.973 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -57.33 -55.18 38.14 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.332 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 14' ' ' TYR . 29.1 m -61.9 -44.26 98.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.63 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -54.4 -37.4 65.02 Favored 'General case' 0 C--O 1.209 -1.076 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -65.35 -42.29 93.0 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-O 121.023 0.44 . . . . 0.0 110.429 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.0 m -88.81 -29.33 19.82 Favored 'General case' 0 C--O 1.244 0.8 0 O-C-N 121.381 -0.824 . . . . 0.0 111.215 -175.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.43 ' C ' HE21 ' A' ' 23' ' ' GLN . 4.3 mm? -74.59 89.3 2.21 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.684 ' N ' HE21 ' A' ' 23' ' ' GLN . 0.0 OUTLIER -102.83 157.4 33.79 Favored Pre-proline 0 C--N 1.312 -1.033 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.794 173.31 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.464 ' HA ' ' O ' ' A' ' 45' ' ' PHE . 76.5 Cg_exo -48.09 113.59 0.86 Allowed 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.167 1.912 . . . . 0.0 112.169 175.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.06 -15.54 8.85 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.911 -176.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.404 ' SD ' ' HA3' ' A' ' 77' ' ' GLY . 22.5 mmt -77.15 125.8 29.91 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 121.309 0.576 . . . . 0.0 109.929 174.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.695 ' HB2' ' OE1' ' A' ' 79' ' ' GLU . 11.4 ttm180 -76.79 149.36 36.26 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-O 121.198 0.523 . . . . 0.0 110.007 178.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.1 m -134.83 155.84 38.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 -176.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.727 ' HB2' HD11 ' A' ' 76' ' ' LEU . 50.5 ttt85 -123.77 137.32 54.7 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.388 174.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.475 ' HG2' HG22 ' A' ' 37' ' ' ILE . 12.8 tpt -78.01 110.26 12.79 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.409 ' HB2' ' HB2' ' A' ' 74' ' ' GLU . 40.0 tp -89.17 -25.36 21.85 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.153 -1.385 . . . . 0.0 110.593 -171.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.442 ' O ' ' HG3' ' A' ' 30' ' ' MET . 19.8 t70 -120.32 154.46 34.99 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.543 ' OD1' ' HA ' ' A' ' 38' ' ' SER . 20.4 t70 -96.06 127.99 42.56 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 120.661 -0.416 . . . . 0.0 109.953 179.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -156.61 116.62 3.56 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 120.315 -0.554 . . . . 0.0 112.029 -170.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 60.85 -124.66 0.94 Allowed 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.577 1.151 . . . . 0.0 111.276 174.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -70.65 -24.7 62.76 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.9 0.857 . . . . 0.0 111.504 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.475 HG22 ' HG2' ' A' ' 30' ' ' MET . 27.4 mm -91.62 145.69 7.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -174.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.543 ' HA ' ' OD1' ' A' ' 33' ' ' ASP . 22.2 m -120.26 149.73 41.82 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.061 -176.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.05 129.79 43.53 Favored 'General case' 0 N--CA 1.446 -0.673 0 O-C-N 123.458 0.474 . . . . 0.0 111.203 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.44 -12.46 47.44 Favored Glycine 0 C--N 1.317 -0.515 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.619 -177.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -62.88 143.14 57.91 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -122.75 146.99 47.02 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.69 -171.23 27.48 Favored Glycine 0 N--CA 1.438 -1.22 0 C-N-CA 120.94 -0.647 . . . . 0.0 111.685 -174.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -123.11 148.85 45.22 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 -177.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.464 ' O ' ' HA ' ' A' ' 24' ' ' PRO . 22.0 t80 -86.86 113.82 22.99 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.552 0.691 . . . . 0.0 109.243 178.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.0 mmm180 -91.07 -50.48 5.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.221 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.521 ' HG3' ' HB3' ' A' ' 56' ' ' GLN . 4.3 pt20 -167.21 165.91 15.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.544 -177.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.5 ' HB3' HG23 ' A' ' 55' ' ' VAL . 25.3 p -140.42 167.71 21.52 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.155 0.503 . . . . 0.0 111.341 178.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -95.11 106.24 18.23 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 170.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -74.0 65.83 1.13 Allowed 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.4 0.619 . . . . 0.0 112.519 -167.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.17 -18.31 0.07 OUTLIER Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 121.151 -0.547 . . . . 0.0 111.86 171.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.492 ' HB ' ' HD2' ' A' ' 53' ' ' PRO . 4.1 m -122.18 160.86 45.83 Favored Pre-proline 0 CA--C 1.533 0.311 0 O-C-N 122.207 -0.584 . . . . 0.0 110.561 178.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.543 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 6.9 Cg_endo -52.6 -41.18 70.18 Favored 'Trans proline' 0 CA--C 1.544 1.021 0 C-N-CA 123.67 2.914 . . . . 0.0 116.145 -178.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 10.0 Cg_endo -54.75 124.8 17.1 Favored 'Trans proline' 0 C--N 1.368 1.56 0 C-N-CA 122.214 1.943 . . . . 0.0 114.183 -177.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.652 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 4.6 p -129.07 137.62 56.67 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.496 177.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.788 HE21 ' HA ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -92.45 107.2 19.03 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 -176.576 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.8 t -124.59 139.74 49.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.885 -177.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -97.24 118.55 33.92 Favored 'General case' 0 C--N 1.315 -0.891 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 176.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -94.73 122.75 37.66 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 121.65 0.738 . . . . 0.0 110.367 -177.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -70.16 -49.64 48.4 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 114.085 -1.416 . . . . 0.0 112.34 -171.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.8 p -66.09 -34.83 78.96 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.74 -171.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.1 p -83.26 -50.5 8.34 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.484 0.659 . . . . 0.0 109.782 176.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.5 21.79 18.45 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 -179.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -119.84 141.02 49.91 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 -178.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.9 m -85.79 137.09 33.03 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 170.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -143.15 146.29 33.59 Favored 'General case' 0 C--N 1.314 -0.955 0 O-C-N 123.308 0.38 . . . . 0.0 110.389 -171.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.652 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 8.8 m-90 -89.04 113.85 25.01 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 171.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.602 HG12 ' H ' ' A' ' 69' ' ' HIS . 1.4 t -104.23 -155.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.671 -171.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.602 ' H ' HG12 ' A' ' 68' ' ' VAL . 32.2 m-70 -138.28 133.99 33.77 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 -172.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.445 ' CD1' ' HA ' ' A' ' 53' ' ' PRO . 89.5 m95 -52.18 -45.37 65.11 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 -177.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.443 ' HA ' ' CD2' ' A' ' 14' ' ' TYR . 6.5 p80 -69.03 -11.38 60.74 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -173.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 20.1 ptp -112.1 13.06 20.6 Favored 'General case' 0 C--O 1.221 -0.43 0 O-C-N 121.679 -0.638 . . . . 0.0 111.549 -178.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.613 HD11 HG11 ' A' ' 55' ' ' VAL . 77.7 mt -99.78 128.28 45.88 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.445 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.484 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . 9.4 tp10 -100.05 125.66 46.14 Favored 'General case' 0 C--O 1.223 -0.341 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 173.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.537 HG12 ' H ' ' A' ' 77' ' ' GLY . 10.6 tt -83.13 127.66 39.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.277 0.56 . . . . 0.0 111.927 -174.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.727 HD11 ' HB2' ' A' ' 29' ' ' ARG . 85.2 mt -127.11 31.08 5.32 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 176.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.537 ' H ' HG12 ' A' ' 75' ' ' ILE . . . -73.34 -175.95 31.12 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.572 -173.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 65.0 30.09 11.95 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 123.117 0.567 . . . . 0.0 109.789 -177.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.695 ' OE1' ' HB2' ' A' ' 27' ' ' ARG . 10.1 pt-20 -66.06 -24.86 66.8 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 121.196 0.522 . . . . 0.0 111.229 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 . . . . . 0 C--O 1.242 0.668 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.294 179.394 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.56 ' O ' ' HG2' ' A' ' 7' ' ' GLU . 25.8 ptm . . . . . 0 N--CA 1.449 -0.511 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.605 ' HD2' ' O ' ' A' ' 71' ' ' HIS . 41.8 ttp180 -44.3 -33.7 1.69 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.599 1.16 . . . . 0.0 112.894 -178.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.82 4.34 12.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 123.759 0.662 . . . . 0.0 112.542 -171.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.56 ' HG2' ' O ' ' A' ' 4' ' ' MET . 51.2 mm-40 -62.19 -27.47 69.0 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 118.442 0.565 . . . . 0.0 110.99 177.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.583 ' HB2' ' HA2' ' A' ' 11' ' ' GLY . 65.3 m-85 -82.71 178.62 8.1 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.914 0.388 . . . . 0.0 110.381 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.34 -46.97 82.76 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-O 121.653 0.74 . . . . 0.0 111.375 -178.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.8 t -131.48 1.48 4.11 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.497 174.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.583 ' HA2' ' HB2' ' A' ' 8' ' ' PHE . . . 80.56 22.24 62.61 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -176.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -77.74 -27.1 50.36 Favored 'General case' 0 C--O 1.239 0.552 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -174.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.7 m -61.67 -27.54 68.75 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 121.666 -0.647 . . . . 0.0 110.393 177.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -60.83 -37.95 83.79 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.559 0.695 . . . . 0.0 109.354 175.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.508 ' HA ' HG22 ' A' ' 18' ' ' VAL . . . -63.13 -29.99 71.23 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.523 178.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 36.5 tp -70.85 -44.82 65.63 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-O 121.705 0.764 . . . . 0.0 110.155 -178.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -64.69 -53.54 45.73 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 114.519 -1.218 . . . . 0.0 110.63 177.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.508 HG22 ' HA ' ' A' ' 15' ' ' ALA . 34.2 m -62.91 -44.83 99.86 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 O-C-N 123.429 0.455 . . . . 0.0 112.148 -175.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.448 ' HA ' ' CZ3' ' A' ' 70' ' ' TRP . 46.2 ptt85 -59.14 -25.74 64.15 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 118.48 0.582 . . . . 0.0 111.861 -178.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -87.62 -43.95 11.58 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.933 -0.479 . . . . 0.0 111.771 -177.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.2 m -82.97 -24.6 32.88 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.299 0.571 . . . . 0.0 111.952 -173.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.424 HD12 ' HB3' ' A' ' 26' ' ' MET . 19.1 tp -70.93 94.52 1.08 Allowed 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.178 0.513 . . . . 0.0 111.488 -176.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -80.69 152.37 72.29 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.689 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -57.02 110.96 0.67 Allowed 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.399 2.066 . . . . 0.0 111.429 176.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.17 -9.44 24.83 Favored Glycine 0 CA--C 1.519 0.333 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.99 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.643 ' HG3' ' HA2' ' A' ' 77' ' ' GLY . 47.2 ttm -76.15 134.81 39.84 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.368 0.604 . . . . 0.0 110.978 -178.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -74.91 150.02 39.27 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.189 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.5 m -134.37 157.32 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.119 -177.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.522 ' HB2' HD11 ' A' ' 76' ' ' LEU . 27.9 ttp-105 -126.67 143.79 51.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.607 177.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.4 tpt -87.06 141.08 28.92 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.168 177.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.406 ' N ' HD12 ' A' ' 31' ' ' LEU . 5.7 mp -94.98 -43.65 8.06 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-O 121.503 0.668 . . . . 0.0 111.337 -175.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -134.99 155.73 50.26 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 114.999 -1.001 . . . . 0.0 111.551 -176.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -74.28 135.1 42.61 Favored 'General case' 0 C--O 1.245 0.836 0 C-N-CA 122.377 0.271 . . . . 0.0 110.349 -175.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -155.6 98.82 1.98 Allowed 'General case' 0 C--O 1.244 0.779 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -171.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.504 ' HG2' ' HG3' ' A' ' 36' ' ' GLU . 42.3 tt0 69.47 -30.85 0.2 Allowed 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 165.303 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.504 ' HG3' ' HG2' ' A' ' 35' ' ' GLU . 37.1 mt-10 -163.46 -38.24 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 122.888 0.475 . . . . 0.0 110.312 -169.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.9 mm -101.4 150.06 6.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.304 -0.862 . . . . 0.0 108.932 -177.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.8 t -117.9 155.78 29.59 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.939 0.4 . . . . 0.0 110.28 -175.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.3 123.64 17.87 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.118 175.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.71 -13.49 50.23 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.874 -176.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -66.25 150.03 49.43 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 117.699 0.75 . . . . 0.0 110.39 175.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -129.65 150.08 51.13 Favored 'General case' 0 C--O 1.244 0.8 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.897 -177.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -158.08 -171.81 24.46 Favored Glycine 0 CA--C 1.501 -0.815 0 C-N-CA 120.648 -0.787 . . . . 0.0 111.851 -177.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -126.76 150.69 48.97 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.958 0.885 . . . . 0.0 109.379 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.572 ' HE1' ' HG ' ' A' ' 48' ' ' SER . 59.3 t80 -95.07 118.67 32.28 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.008 -179.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 54.8 mtp85 -107.94 -51.97 2.83 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.926 0.393 . . . . 0.0 111.694 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.417 ' O ' ' HB3' ' A' ' 56' ' ' GLN . 2.0 pt20 -159.76 148.36 17.49 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.21 -175.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.74 ' OG ' HG23 ' A' ' 55' ' ' VAL . 59.9 m -165.19 -174.81 3.39 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 121.337 0.589 . . . . 0.0 111.729 -175.134 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.411 HD22 ' C ' ' A' ' 48' ' ' SER . 0.9 OUTLIER -124.65 131.99 53.44 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 178.304 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.402 ' OD1' ' HD2' ' A' ' 19' ' ' ARG . 9.0 t30 -78.27 -62.83 1.55 Allowed 'General case' 0 C--N 1.309 -1.152 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -175.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -45.99 -55.91 7.13 Favored Glycine 0 C--N 1.339 0.715 0 CA-C-N 115.871 -0.604 . . . . 0.0 114.331 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.42 ' C ' ' HD2' ' A' ' 54' ' ' PRO . 24.7 m -92.11 146.52 32.89 Favored Pre-proline 0 C--N 1.317 -0.847 0 CA-C-O 121.6 0.714 . . . . 0.0 111.602 -178.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.533 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 9.2 Cg_endo -54.28 -38.56 88.55 Favored 'Trans proline' 0 CA--C 1.551 1.333 0 C-N-CA 124.204 3.27 . . . . 0.0 116.914 -175.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 11.7 Cg_endo -53.96 114.25 1.7 Allowed 'Trans proline' 0 C--N 1.368 1.583 0 C-N-CA 122.1 1.867 . . . . 0.0 114.132 -174.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.74 HG23 ' OG ' ' A' ' 48' ' ' SER . 2.3 p -118.9 127.82 75.76 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-N 115.131 -0.941 . . . . 0.0 108.858 176.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.417 ' HB3' ' O ' ' A' ' 47' ' ' GLN . 36.3 tt0 -93.17 112.95 25.04 Favored 'General case' 0 C--N 1.314 -0.975 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.615 -177.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 91.3 t -121.24 131.67 72.46 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.503 -177.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.414 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 71.5 t80 -88.66 113.42 24.2 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 175.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -91.03 111.53 23.03 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.218 -177.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -84.34 -25.58 29.09 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-O 121.226 0.536 . . . . 0.0 111.822 -170.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.9 p -69.39 -33.62 73.3 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.504 177.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.6 m -90.15 -54.36 4.06 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.489 0.662 . . . . 0.0 110.092 174.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.07 22.63 6.14 Favored Glycine 0 C--N 1.318 -0.453 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.41 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -137.35 148.91 46.62 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' A' ' 58' ' ' PHE . 2.1 m -84.97 145.62 27.64 Favored 'General case' 0 C--N 1.317 -0.827 0 O-C-N 123.487 0.492 . . . . 0.0 109.876 175.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -148.16 148.19 30.29 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 123.389 0.431 . . . . 0.0 110.322 -176.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.466 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 23.6 m-90 -95.77 116.04 28.31 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 174.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.441 HG12 ' H ' ' A' ' 69' ' ' HIS . 0.7 OUTLIER -109.41 -177.78 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 -175.388 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.698 ' O ' ' HG2' ' A' ' 72' ' ' MET . 55.3 m-70 -99.69 136.29 39.85 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 171.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.448 ' CZ3' ' HA ' ' A' ' 19' ' ' ARG . 91.0 m95 -49.22 -44.72 43.59 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -177.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.605 ' O ' ' HD2' ' A' ' 5' ' ' ARG . 1.5 p-80 -67.69 -4.44 12.17 Favored 'General case' 0 C--O 1.213 -0.85 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -172.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.698 ' HG2' ' O ' ' A' ' 69' ' ' HIS . 12.7 ptm -117.77 21.09 13.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 118.597 0.635 . . . . 0.0 111.393 -178.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.508 HD11 HG11 ' A' ' 55' ' ' VAL . 95.7 mt -108.56 136.38 48.25 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 122.061 -0.399 . . . . 0.0 110.715 178.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.402 ' HG3' ' NH2' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -106.84 134.39 50.06 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 177.195 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.462 HD11 ' HA ' ' A' ' 18' ' ' VAL . 21.3 mt -95.58 135.32 30.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.851 0.357 . . . . 0.0 111.862 -175.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.522 HD11 ' HB2' ' A' ' 29' ' ' ARG . 8.9 mp -102.16 -66.94 0.89 Allowed 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 171.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.643 ' HA2' ' HG3' ' A' ' 26' ' ' MET . . . 62.4 -156.05 39.2 Favored Glycine 0 CA--C 1.502 -0.774 0 CA-C-N 114.88 -1.054 . . . . 0.0 112.764 178.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -132.3 18.42 4.44 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 175.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -58.84 -38.7 79.31 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.523 174.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 . . . . . 0 C--N 1.323 -0.57 0 CA-C-N 114.563 -1.198 . . . . 0.0 108.62 175.383 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.513 ' HB2' ' CG ' ' A' ' 7' ' ' GLU . 66.1 mtt . . . . . 0 N--CA 1.451 -0.414 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.659 ' HD3' ' O ' ' A' ' 71' ' ' HIS . 14.7 ttm180 -53.52 -55.68 23.38 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 124.067 0.854 . . . . 0.0 112.029 -170.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.9 t -93.11 10.59 30.97 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.278 0.561 . . . . 0.0 111.907 -174.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.513 ' CG ' ' HB2' ' A' ' 4' ' ' MET . 33.2 mm-40 -93.86 11.77 28.22 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.835 -0.54 . . . . 0.0 111.957 -176.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.531 ' HB3' ' HB ' ' A' ' 13' ' ' THR . 16.3 m-85 -74.41 169.67 17.21 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 174.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -49.92 -46.04 51.66 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -173.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.9 t -117.18 10.03 13.7 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-O 121.714 0.769 . . . . 0.0 110.152 178.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.68 -58.79 3.41 Favored Glycine 0 CA--C 1.524 0.616 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.908 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -59.75 -22.06 61.57 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 123.099 0.56 . . . . 0.0 111.515 178.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.547 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 1.2 m -51.68 -30.7 22.96 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 123.393 0.677 . . . . 0.0 111.814 -176.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.411 ' O ' HG13 ' A' ' 18' ' ' VAL . 77.6 t80 -62.75 -44.94 94.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.478 0.656 . . . . 0.0 110.044 176.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.545 ' HB1' ' HB2' ' A' ' 70' ' ' TRP . . . -65.7 -34.66 78.72 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.549 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 13' ' ' THR . 4.2 pp -76.59 -26.36 54.96 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.529 0.68 . . . . 0.0 110.233 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -72.59 -53.56 11.56 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-O 121.181 0.515 . . . . 0.0 111.088 174.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.493 HG22 ' HA ' ' A' ' 15' ' ' ALA . 33.2 m -56.46 -32.24 35.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -176.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.527 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -65.84 -17.28 64.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.425 0.631 . . . . 0.0 111.402 -179.691 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -83.84 -40.01 19.22 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.897 0.856 . . . . 0.0 110.639 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.3 m -81.29 -41.28 22.38 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.901 -178.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.64 HD23 ' HB ' ' A' ' 75' ' ' ILE . 0.5 OUTLIER -83.08 98.73 9.46 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.938 0.875 . . . . 0.0 110.397 -177.791 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -90.11 161.57 37.5 Favored Pre-proline 0 C--O 1.238 0.476 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.845 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.424 ' HA ' ' CD2' ' A' ' 45' ' ' PHE . 62.0 Cg_exo -52.49 122.24 10.48 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.353 2.702 . . . . 0.0 111.811 177.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.73 -22.85 15.97 Favored Glycine 0 C--O 1.218 -0.88 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.804 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.695 ' HA ' ' HB2' ' A' ' 78' ' ' PHE . 42.1 mtt -76.09 148.97 37.52 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.139 0.495 . . . . 0.0 111.347 -177.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.534 ' HB3' HD23 ' A' ' 76' ' ' LEU . 20.8 mtt180 -82.61 159.36 22.73 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.865 0.84 . . . . 0.0 112.406 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.6 m -141.82 155.03 19.67 Favored 'Isoleucine or valine' 0 C--O 1.242 0.686 0 CA-C-N 114.538 -1.21 . . . . 0.0 111.295 -179.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 29' ' ' ARG . 13.7 ttp180 -124.87 132.29 53.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.933 0.397 . . . . 0.0 110.572 175.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.487 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 15.7 tpt -81.03 125.54 30.3 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.049 0.452 . . . . 0.0 111.106 -179.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.581 HD11 ' HB2' ' A' ' 74' ' ' GLU . 96.4 mt -94.1 -17.17 23.09 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -175.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -128.04 165.2 20.77 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 122.123 -0.36 . . . . 0.0 111.101 -175.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -84.83 124.23 31.35 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 174.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -146.95 92.82 2.18 Favored 'General case' 0 C--O 1.244 0.764 0 O-C-N 122.077 -0.389 . . . . 0.0 110.434 -174.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 59.74 -113.43 0.63 Allowed 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.143 178.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -75.57 -21.16 58.11 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.088 -176.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 26.2 mm -96.78 142.99 13.14 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-O 120.821 0.344 . . . . 0.0 110.315 -178.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.3 m -116.94 157.86 25.03 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.47 -178.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.31 125.75 24.9 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 176.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.21 -12.44 44.32 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.97 -0.633 . . . . 0.0 113.453 -177.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -64.85 146.77 54.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 117.528 0.664 . . . . 0.0 110.214 176.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -129.16 151.48 49.79 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 120.996 0.427 . . . . 0.0 110.269 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.405 ' O ' ' HG2' ' A' ' 27' ' ' ARG . . . -163.96 -171.35 30.1 Favored Glycine 0 N--CA 1.436 -1.357 0 C-N-CA 121.243 -0.503 . . . . 0.0 112.869 -178.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -120.43 143.83 48.27 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 110.537 -0.172 . . . . 0.0 110.537 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.424 ' CD2' ' HA ' ' A' ' 24' ' ' PRO . 56.5 t80 -86.05 115.16 23.47 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -179.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -83.4 -55.75 4.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.884 -177.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.464 HE21 ' HG2' ' A' ' 56' ' ' GLN . 4.8 pm0 -173.02 169.7 4.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.879 -175.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.6 p -152.25 174.29 13.96 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -118.84 106.11 12.19 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 122.436 -0.165 . . . . 0.0 111.404 -175.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.3 m120 58.19 -94.06 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 O-C-N 123.926 0.766 . . . . 0.0 112.093 175.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -153.85 40.41 0.67 Allowed Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 177.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.6 m -84.06 143.98 43.63 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 115.347 -0.427 . . . . 0.0 110.958 -176.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.478 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 35.6 Cg_exo -48.87 -46.89 23.17 Favored 'Trans proline' 0 CA--C 1.543 0.973 0 C-N-CA 123.141 2.561 . . . . 0.0 113.58 178.08 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 34.5 Cg_endo -65.59 135.82 43.71 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 121.722 1.615 . . . . 0.0 111.695 176.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.501 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 7.4 p -129.28 140.37 49.36 Favored 'Isoleucine or valine' 0 C--O 1.246 0.915 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -177.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.464 ' HG2' HE21 ' A' ' 47' ' ' GLN . 21.4 tp60 -94.97 107.08 19.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.59 0.709 . . . . 0.0 109.828 -177.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 86.8 t -121.74 138.51 51.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.523 -176.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -93.33 112.1 23.94 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.648 174.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.487 ' CH2' ' HB2' ' A' ' 30' ' ' MET . 98.0 m95 -91.27 112.78 24.83 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -178.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -75.17 -31.36 60.96 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.022 -170.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.4 p -67.54 -35.1 78.41 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.83 0.824 . . . . 0.0 111.231 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.73 -50.9 7.21 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.459 0.647 . . . . 0.0 110.171 175.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.24 11.76 23.18 Favored Glycine 0 N--CA 1.44 -1.085 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.363 175.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.91 163.39 29.95 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 122.539 -0.389 . . . . 0.0 110.188 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.4 p -86.89 149.56 24.72 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.194 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -148.01 148.39 30.67 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 121.192 0.52 . . . . 0.0 109.817 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.501 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 13.4 m-90 -92.32 115.46 28.11 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 174.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.478 HG12 ' H ' ' A' ' 69' ' ' HIS . 2.2 t -113.65 179.91 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.478 ' H ' HG12 ' A' ' 68' ' ' VAL . 29.9 m-70 -102.67 136.14 43.05 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 168.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.545 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . 96.1 m95 -44.47 -46.52 9.71 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -173.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.659 ' O ' ' HD3' ' A' ' 5' ' ' ARG . 3.1 p-80 -73.75 0.0 14.35 Favored 'General case' 0 C--O 1.221 -0.447 0 C-N-CA 119.813 -0.755 . . . . 0.0 113.034 -172.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.414 ' HB3' ' CE ' ' A' ' 30' ' ' MET . 15.8 mmt -84.33 -23.98 29.98 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-O 121.131 0.491 . . . . 0.0 111.694 178.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.3 pp -111.76 151.27 29.16 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-O 122.289 1.042 . . . . 0.0 111.081 -172.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.581 ' HB2' HD11 ' A' ' 31' ' ' LEU . 42.1 tt0 -99.21 139.91 34.17 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 113.85 -1.523 . . . . 0.0 108.666 175.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.64 ' HB ' HD23 ' A' ' 22' ' ' LEU . 32.2 pt -80.47 112.29 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.122 0 CA-C-O 121.139 0.495 . . . . 0.0 109.936 -178.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.534 HD23 ' HB3' ' A' ' 27' ' ' ARG . 35.2 tp -86.01 -33.01 21.17 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.403 -175.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.47 -176.65 29.06 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.668 174.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.695 ' HB2' ' HA ' ' A' ' 26' ' ' MET . 0.7 OUTLIER -176.24 138.34 0.32 Allowed 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 -178.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -73.73 57.36 0.58 Allowed 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 121.69 0.757 . . . . 0.0 110.406 178.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 N--CA 1.472 0.627 0 CA-C-N 114.909 -1.042 . . . . 0.0 111.991 179.858 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.637 ' HB3' ' HG2' ' A' ' 7' ' ' GLU . 25.0 ttt . . . . . 0 N--CA 1.45 -0.446 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.688 ' HG2' ' HB2' ' A' ' 71' ' ' HIS . 0.0 OUTLIER -64.37 -47.36 79.56 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.347 0.594 . . . . 0.0 111.105 -173.674 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 p -74.18 4.8 5.12 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.957 -174.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.637 ' HG2' ' HB3' ' A' ' 4' ' ' MET . 16.2 mm-40 -79.27 -20.23 48.59 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.22 0.533 . . . . 0.0 110.207 176.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.559 ' HB3' ' HB ' ' A' ' 13' ' ' THR . 52.8 m-85 -78.37 167.16 21.75 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.425 177.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.07 -45.83 61.54 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-O 121.686 0.755 . . . . 0.0 112.952 -176.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.3 t -117.31 -0.07 12.11 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 -177.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.518 ' HA2' ' O ' ' A' ' 5' ' ' ARG . . . 77.02 -55.25 3.52 Favored Glycine 0 N--CA 1.47 0.956 0 CA-C-O 121.684 0.602 . . . . 0.0 112.369 -175.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -58.58 -25.08 62.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.927 -0.637 . . . . 0.0 109.948 175.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.559 ' HB ' ' HB3' ' A' ' 8' ' ' PHE . 3.1 m -49.63 -30.84 9.59 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 124.638 1.211 . . . . 0.0 111.968 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -62.36 -54.75 35.88 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.382 0.611 . . . . 0.0 110.088 176.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.431 ' HA ' HG22 ' A' ' 18' ' ' VAL . . . -63.36 -29.88 71.11 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.343 178.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.8 tp -73.73 -38.96 64.63 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.836 -179.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -65.23 -53.04 50.34 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.65 178.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.431 HG22 ' HA ' ' A' ' 15' ' ' ALA . 29.1 m -60.59 -37.64 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.285 -176.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -29.0 64.18 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 122.201 0.2 . . . . 0.0 110.733 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -74.89 -52.41 11.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.884 0.373 . . . . 0.0 111.943 -178.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.2 m -83.69 -32.23 25.67 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.005 0.431 . . . . 0.0 111.744 -173.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.494 ' HA ' ' SD ' ' A' ' 26' ' ' MET . 38.9 tp -68.34 96.56 0.67 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.947 0.404 . . . . 0.0 110.822 -176.128 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -93.32 167.24 14.46 Favored Pre-proline 0 N--CA 1.441 -0.914 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.945 176.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.433 ' HA ' ' O ' ' A' ' 45' ' ' PHE . 23.5 Cg_exo -62.81 130.88 30.89 Favored 'Trans proline' 0 C--O 1.237 0.472 0 C-N-CA 122.574 2.182 . . . . 0.0 110.896 175.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.31 -9.24 62.92 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.293 -0.956 . . . . 0.0 111.721 -178.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.624 ' HG3' ' HA2' ' A' ' 77' ' ' GLY . 52.0 ttm -83.64 132.27 34.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 122.332 -0.511 . . . . 0.0 110.231 179.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.4 mtm180 -81.13 148.78 29.44 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.26 0.552 . . . . 0.0 112.389 -176.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.48 HG21 HD23 ' A' ' 73' ' ' LEU . 30.7 m -133.24 159.21 43.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 114.465 -1.243 . . . . 0.0 110.353 -178.156 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 29' ' ' ARG . 13.8 ttp180 -120.32 129.23 53.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.101 174.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.545 ' HG2' HG22 ' A' ' 37' ' ' ILE . 11.9 tpt -75.38 121.33 22.1 Favored 'General case' 0 C--N 1.315 -0.891 0 N-CA-C 109.732 -0.469 . . . . 0.0 109.732 178.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.506 HD21 ' HB2' ' A' ' 74' ' ' GLU . 97.7 mt -92.37 -9.04 43.2 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 113.261 0.838 . . . . 0.0 113.261 -174.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -147.46 155.83 42.28 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 121.431 -0.793 . . . . 0.0 110.962 -177.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.609 ' HA ' ' HA ' ' A' ' 38' ' ' SER . 20.7 t70 -87.31 130.53 34.58 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.032 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -154.58 98.93 2.13 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.048 -171.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.444 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 16.9 mt-10 57.72 -1.04 0.08 Allowed 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 116.194 1.924 . . . . 0.0 116.194 166.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 35' ' ' GLU . 34.6 tt0 177.36 -42.96 0.01 OUTLIER 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 177.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.545 HG22 ' HG2' ' A' ' 30' ' ' MET . 25.9 mm -95.62 146.59 6.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.315 -178.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.609 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 49.8 m -123.03 160.69 25.8 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 120.875 0.369 . . . . 0.0 111.462 -173.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.04 124.31 20.15 Favored 'General case' 0 C--O 1.245 0.824 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.523 178.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.74 -14.47 45.79 Favored Glycine 0 C--N 1.335 0.526 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.614 -177.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.51 ' CG ' ' HB3' ' A' ' 61' ' ' SER . 6.6 t0 -64.68 140.27 58.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 122.075 -0.662 . . . . 0.0 109.329 175.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.529 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 46.3 mt-10 -110.9 145.68 37.88 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -178.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -150.16 174.65 29.52 Favored Glycine 0 N--CA 1.438 -1.188 0 C-N-CA 119.401 -1.38 . . . . 0.0 112.465 -173.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -122.68 142.36 50.77 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.433 ' O ' ' HA ' ' A' ' 24' ' ' PRO . 85.3 t80 -85.45 116.67 23.9 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -178.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.431 ' HD3' ' HA ' ' A' ' 46' ' ' ARG . 21.0 mmt180 -91.94 -53.37 4.3 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.264 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -168.91 163.45 11.56 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.974 -0.291 . . . . 0.0 110.359 -176.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.8 p -124.42 150.71 45.33 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.643 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -86.34 124.03 32.25 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 176.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -62.88 122.65 16.51 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.276 -0.874 . . . . 0.0 111.462 -170.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.43 -35.15 3.91 Favored Glycine 0 N--CA 1.44 -1.089 0 CA-C-N 115.853 -0.612 . . . . 0.0 113.416 174.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.409 ' HB ' ' HD2' ' A' ' 54' ' ' PRO . 14.7 m -104.69 156.89 35.26 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -172.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.536 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 52.3 Cg_exo -53.78 -45.99 37.01 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 123.885 3.057 . . . . 0.0 116.157 -178.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 9.1 Cg_endo -50.03 128.01 20.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 C-N-CA 122.7 2.267 . . . . 0.0 113.806 -174.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.694 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 8.0 p -128.78 138.29 54.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.359 179.083 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.514 ' NE2' ' HB ' ' A' ' 65' ' ' THR . 6.1 tp60 -98.2 110.0 22.66 Favored 'General case' 0 C--O 1.237 0.434 0 O-C-N 121.633 -0.667 . . . . 0.0 110.088 -175.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.598 HG21 HD21 ' A' ' 73' ' ' LEU . 91.3 t -123.98 132.81 70.77 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.845 -177.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -90.45 112.84 24.62 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.629 177.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.424 ' CZ3' ' HB2' ' A' ' 30' ' ' MET . 91.9 m95 -95.78 123.2 39.25 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -176.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.529 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -83.64 -25.21 30.96 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -171.221 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.51 ' HB3' ' CG ' ' A' ' 41' ' ' ASP . 22.8 t -70.94 -35.95 72.41 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.489 0.661 . . . . 0.0 109.604 -178.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.3 p -92.4 -39.8 11.24 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.507 0.67 . . . . 0.0 110.529 175.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.59 29.92 9.58 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.675 176.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 57.0 mtt85 -138.1 154.12 49.25 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 122.396 0.278 . . . . 0.0 110.686 -178.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.514 ' HB ' ' NE2' ' A' ' 56' ' ' GLN . 21.6 p -83.13 147.36 28.13 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 169.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -152.8 146.51 25.13 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.389 0.614 . . . . 0.0 110.439 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.694 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 24.3 m-90 -94.97 114.63 26.48 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 178.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.488 ' O ' HG12 ' A' ' 55' ' ' VAL . 1.6 t -115.06 177.22 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.852 -174.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.479 ' H ' HG12 ' A' ' 68' ' ' VAL . 2.2 m80 -93.26 134.63 35.27 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 172.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -48.59 -47.58 39.71 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -177.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.688 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 2.6 p-80 -72.34 4.09 4.07 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -173.13 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.468 ' HG3' ' HB2' ' A' ' 69' ' ' HIS . 57.8 mtp -97.52 -9.0 27.91 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 122.291 -0.256 . . . . 0.0 110.751 177.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.598 HD21 HG21 ' A' ' 57' ' ' VAL . 8.0 mp -103.51 137.06 42.1 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 120.805 0.336 . . . . 0.0 110.869 -174.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.506 ' HB2' HD21 ' A' ' 31' ' ' LEU . 39.3 tt0 -95.75 134.82 38.24 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 172.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.6 tt -88.1 108.91 19.11 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 CA-C-O 122.519 1.152 . . . . 0.0 110.226 -174.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 82.3 mt -80.53 -51.64 8.54 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.092 176.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.624 ' HA2' ' HG3' ' A' ' 26' ' ' MET . . . 81.62 -124.56 6.51 Favored Glycine 0 N--CA 1.444 -0.82 0 O-C-N 124.318 1.011 . . . . 0.0 112.049 178.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -142.09 19.37 2.11 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -68.33 -17.97 64.38 Favored 'General case' 0 N--CA 1.457 -0.089 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.875 -175.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.431 ' H ' ' CD ' ' A' ' 80' ' ' GLU . 2.3 mp0 . . . . . 0 N--CA 1.443 -0.822 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.451 ' HE2' ' HA ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.443 -0.785 0 CA-C-O 120.649 0.262 . . . . 0.0 110.95 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -65.76 -33.21 75.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 122.218 1.008 . . . . 0.0 110.975 177.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.517 ' HA ' ' HA2' ' A' ' 11' ' ' GLY . 45.9 m -80.05 13.77 2.13 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 114.291 -1.322 . . . . 0.0 111.236 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.451 ' HA ' ' HE2' ' A' ' 4' ' ' MET . 21.2 tt0 -64.98 -25.79 68.01 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.145 0.497 . . . . 0.0 111.105 -178.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.476 ' CD1' ' HB2' ' A' ' 14' ' ' TYR . 76.5 m-85 -81.92 175.59 10.26 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.068 -178.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -47.55 -46.8 28.21 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 124.025 0.93 . . . . 0.0 113.188 -170.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.9 m -127.81 13.76 6.89 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-O 121.977 0.894 . . . . 0.0 110.942 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.517 ' HA2' ' HA ' ' A' ' 6' ' ' SER . . . 75.42 -64.75 2.47 Favored Glycine 0 C--N 1.334 0.439 0 CA-C-N 115.147 -0.933 . . . . 0.0 112.919 -176.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -56.81 -23.77 46.0 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.113 -0.543 . . . . 0.0 111.399 176.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 m -52.28 -30.91 30.19 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.157 179.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.476 ' HB2' ' CD1' ' A' ' 8' ' ' PHE . 61.7 t80 -65.24 -50.28 66.41 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-O 121.334 0.588 . . . . 0.0 109.932 175.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.544 ' HB2' ' HA ' ' A' ' 71' ' ' HIS . . . -59.65 -31.48 69.57 Favored 'General case' 0 N--CA 1.438 -1.044 0 C-N-CA 123.661 0.784 . . . . 0.0 110.519 176.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.6 tp -69.6 -36.05 75.85 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.508 176.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -65.87 -48.9 70.01 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.655 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 19.4 m -63.09 -42.73 97.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.416 177.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -57.94 -41.6 83.14 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.419 0.628 . . . . 0.0 111.03 177.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -56.85 -34.69 68.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.348 -176.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.452 ' HB ' HD12 ' A' ' 75' ' ' ILE . 3.2 m -109.43 -2.86 17.45 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.824 -174.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.657 HD12 ' HZ3' ' A' ' 70' ' ' TRP . 19.6 mt -81.27 100.07 8.96 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 177.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -92.08 161.5 33.07 Favored Pre-proline 0 C--N 1.309 -1.183 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.109 174.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.11 110.57 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.093 1.862 . . . . 0.0 111.787 173.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.25 -8.51 26.83 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.788 -176.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.429 ' HB3' HD22 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -73.01 136.16 45.03 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.202 0.525 . . . . 0.0 110.099 178.656 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.469 ' HD3' ' HE1' ' A' ' 78' ' ' PHE . 48.3 ttt180 -83.2 151.23 25.77 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.287 -178.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.7 m -137.78 157.43 33.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.74 0.781 . . . . 0.0 111.054 -177.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.528 ' HB2' HD11 ' A' ' 76' ' ' LEU . 43.1 ttp180 -128.47 143.74 51.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.189 174.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.406 ' HG2' HG22 ' A' ' 37' ' ' ILE . 13.2 tpt -80.36 119.36 22.98 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.596 -178.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.0 mt -90.72 -27.03 19.23 Favored 'General case' 0 C--O 1.243 0.74 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -177.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.49 ' HB2' ' HB2' ' A' ' 72' ' ' MET . 1.9 m-20 -113.85 167.99 10.17 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.775 0.321 . . . . 0.0 110.54 -174.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -98.33 126.91 44.03 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.244 0.545 . . . . 0.0 110.038 177.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.41 ' HE2' ' OH ' ' A' ' 66' ' ' TYR . 31.8 t80 -120.97 178.07 4.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.791 -171.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -84.29 28.75 0.61 Allowed 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.651 -175.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -173.45 -41.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.701 0.762 . . . . 0.0 109.34 -175.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.406 HG22 ' HG2' ' A' ' 30' ' ' MET . 32.5 mm -114.12 157.0 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 113.75 -1.568 . . . . 0.0 108.81 -179.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.3 t -131.06 163.4 27.7 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -176.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.39 128.83 38.25 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-O 121.026 0.441 . . . . 0.0 110.228 -179.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.26 -18.25 42.44 Favored Glycine 0 CA--C 1.521 0.423 0 CA-C-N 115.765 -0.652 . . . . 0.0 113.322 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -62.59 138.29 58.45 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 117.206 0.503 . . . . 0.0 109.905 174.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 39.9 mt-10 -116.5 157.54 25.04 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 121.28 0.562 . . . . 0.0 110.472 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -162.64 -171.37 28.76 Favored Glycine 0 CA--C 1.505 -0.536 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.898 178.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -122.0 148.57 44.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.554 0.692 . . . . 0.0 110.151 -178.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.486 ' HE1' ' HB3' ' A' ' 48' ' ' SER . 71.5 t80 -91.49 120.27 32.16 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.125 -178.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -99.24 -50.65 4.06 Favored 'General case' 0 C--N 1.315 -0.911 0 O-C-N 121.865 -0.522 . . . . 0.0 111.535 179.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -165.49 159.71 17.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.421 0.629 . . . . 0.0 110.688 -175.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.61 ' HB3' HG23 ' A' ' 55' ' ' VAL . 17.9 p -145.79 177.82 8.63 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.637 -177.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -111.32 104.53 13.0 Favored 'General case' 0 N--CA 1.434 -1.226 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 167.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -81.46 79.12 8.13 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.954 0.883 . . . . 0.0 111.494 -170.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 167.25 -28.34 0.17 Allowed Glycine 0 N--CA 1.44 -1.088 0 N-CA-C 109.875 -1.29 . . . . 0.0 109.875 177.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.456 ' HB ' ' HD2' ' A' ' 53' ' ' PRO . 10.9 m -117.28 164.74 17.85 Favored Pre-proline 0 C--N 1.325 -0.488 0 C-N-CA 122.752 0.421 . . . . 0.0 110.761 177.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.512 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 34.6 Cg_exo -55.55 -48.29 21.18 Favored 'Trans proline' 0 CA--C 1.55 1.312 0 C-N-CA 123.63 2.887 . . . . 0.0 115.588 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 10.0 Cg_endo -52.45 116.9 3.15 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 122.128 1.885 . . . . 0.0 114.424 -173.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.61 HG23 ' HB3' ' A' ' 48' ' ' SER . 2.7 p -129.81 136.56 58.75 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.391 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.891 174.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -95.76 111.91 23.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.619 0.723 . . . . 0.0 110.862 -175.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.5 t -122.9 140.97 45.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.726 -176.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -95.49 111.07 23.04 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 174.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -83.38 113.53 20.8 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.772 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.449 ' CD ' HH21 ' A' ' 27' ' ' ARG . 12.5 pt-20 -77.82 -20.61 52.88 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.341 0.591 . . . . 0.0 110.223 -175.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.2 t -65.42 -43.5 90.33 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.737 177.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.2 m -96.58 -33.34 11.83 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.901 0.858 . . . . 0.0 110.167 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.92 23.72 24.66 Favored Glycine 0 CA--C 1.521 0.462 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.731 178.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 64' ' ' ARG . 10.1 ptp180 -133.07 151.51 52.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.341 0.591 . . . . 0.0 111.296 -177.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -81.31 138.87 35.67 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.296 -0.866 . . . . 0.0 109.538 173.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.41 ' OH ' ' HE2' ' A' ' 34' ' ' TYR . 37.7 t80 -152.1 149.51 28.88 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.442 0.163 . . . . 0.0 111.414 -177.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.514 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 22.1 m-90 -97.02 117.99 32.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.585 178.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.482 HG12 ' H ' ' A' ' 69' ' ' HIS . 1.0 OUTLIER -117.06 -179.58 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -174.32 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.518 ' HB2' ' SD ' ' A' ' 72' ' ' MET . 33.0 m-70 -103.37 136.61 42.8 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.257 0.551 . . . . 0.0 109.856 174.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.657 ' HZ3' HD12 ' A' ' 22' ' ' LEU . 99.1 m95 -52.13 -36.32 50.89 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -179.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.544 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . 12.0 p80 -63.53 -14.22 48.98 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -171.291 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.518 ' SD ' ' HB2' ' A' ' 69' ' ' HIS . 0.6 OUTLIER -115.58 13.31 16.32 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.985 -176.041 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 74.0 mt -106.59 133.39 51.34 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 73.3 tt0 -100.1 135.16 41.95 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.931 176.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.452 HD12 ' HB ' ' A' ' 21' ' ' THR . 7.9 tt -76.41 124.52 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.912 177.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.528 HD11 ' HB2' ' A' ' 29' ' ' ARG . 89.1 mt -119.45 80.13 1.52 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.407 0.623 . . . . 0.0 109.581 172.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -85.42 100.68 2.47 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.5 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.469 ' HE1' ' HD3' ' A' ' 27' ' ' ARG . 86.5 m-85 -84.23 5.76 25.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.706 0.289 . . . . 0.0 110.709 178.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -82.13 88.86 6.44 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.069 173.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 . . . . . 0 N--CA 1.475 0.777 0 C-N-CA 124.121 0.968 . . . . 0.0 111.761 -177.736 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.437 ' HB3' ' OE1' ' A' ' 74' ' ' GLU . 0.9 OUTLIER . . . . . 0 N--CA 1.468 0.448 0 CA-C-O 120.912 0.387 . . . . 0.0 111.146 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 65.1 mtt-85 -69.1 -35.58 76.61 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.446 -175.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 m -69.48 1.28 4.13 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -171.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -74.5 -70.14 0.42 Allowed 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -175.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.478 ' CD1' ' HB2' ' A' ' 14' ' ' TYR . 39.4 m-85 53.86 -158.49 0.17 Allowed 'General case' 0 C--O 1.224 -0.279 0 O-C-N 123.609 0.568 . . . . 0.0 111.23 -176.053 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.94 -47.11 48.4 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.484 174.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.3 m -133.49 1.74 3.44 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.324 0.583 . . . . 0.0 111.553 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.34 -5.25 44.87 Favored Glycine 0 CA--C 1.502 -0.721 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.617 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -70.91 -27.5 63.83 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.198 0.523 . . . . 0.0 110.807 -177.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.8 m -70.85 -35.25 72.33 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 178.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.478 ' HB2' ' CD1' ' A' ' 8' ' ' PHE . 75.1 t80 -68.43 -41.2 80.7 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.558 176.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.23 -34.04 68.17 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.009 175.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.0 tp -72.97 -42.33 63.46 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.668 176.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -62.09 -54.77 36.64 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.593 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.745 ' HB ' HD23 ' A' ' 22' ' ' LEU . 27.8 m -57.0 -29.45 31.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 112.916 0.709 . . . . 0.0 112.916 -177.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.411 HH21 ' HH2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -47.64 -49.61 26.78 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 179.286 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -86.81 -22.46 25.85 Favored 'General case' 0 C--N 1.315 -0.934 0 O-C-N 122.06 -0.4 . . . . 0.0 110.836 -177.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.9 m -87.02 -25.9 24.01 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.022 0.439 . . . . 0.0 110.929 -172.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.745 HD23 ' HB ' ' A' ' 18' ' ' VAL . 3.8 mm? -78.53 100.54 6.95 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.481 0.658 . . . . 0.0 111.236 -178.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.39 137.07 20.69 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.098 172.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -49.62 101.65 0.05 OUTLIER 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 123.046 2.498 . . . . 0.0 111.796 175.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.38 -8.97 6.23 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.748 -175.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.497 ' SD ' ' HA2' ' A' ' 77' ' ' GLY . 50.3 tpp -82.41 128.59 34.39 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 179.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 43' ' ' GLY . 20.0 ttm180 -79.52 141.53 36.59 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 121.332 0.586 . . . . 0.0 112.285 -177.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.601 HG12 HG22 ' A' ' 75' ' ' ILE . 34.1 m -123.2 160.21 26.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.63 -176.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.3 ttt85 -122.7 132.68 54.37 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.565 174.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 13.5 tpt -79.62 105.13 10.7 Favored 'General case' 0 C--O 1.238 0.468 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 172.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.458 ' CD1' ' H ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -95.34 -11.26 28.1 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 122.152 -0.342 . . . . 0.0 111.717 -173.852 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -118.54 139.29 51.68 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 175.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -84.39 146.84 27.46 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 122.044 -0.41 . . . . 0.0 110.908 -172.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -153.26 153.91 33.59 Favored 'General case' 0 C--O 1.209 -1.045 0 CA-C-N 115.2 -0.909 . . . . 0.0 108.821 -174.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.479 ' CD ' ' H ' ' A' ' 35' ' ' GLU . 1.5 mp0 -39.14 -71.8 0.07 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 178.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -67.11 -55.28 14.9 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 122.426 0.29 . . . . 0.0 111.325 -174.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -105.3 136.58 38.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 O-C-N 123.806 0.691 . . . . 0.0 109.645 -177.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.4 m -110.09 155.59 21.69 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.848 -168.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.28 127.26 31.24 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 176.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.65 -14.2 46.26 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.236 -0.983 . . . . 0.0 112.05 -176.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -70.82 144.3 50.83 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-O 121.698 0.761 . . . . 0.0 109.564 177.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -131.54 149.32 52.56 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 -176.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.482 ' HA2' ' HG2' ' A' ' 60' ' ' GLU . . . -166.41 -171.46 32.59 Favored Glycine 0 N--CA 1.434 -1.445 0 C-N-CA 119.402 -1.38 . . . . 0.0 112.942 -177.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -110.18 148.48 31.73 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.642 -0.279 . . . . 0.0 111.471 -178.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.572 ' CG ' HD12 ' A' ' 22' ' ' LEU . 81.4 t80 -86.81 117.92 25.86 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 176.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -90.79 -55.93 3.38 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.576 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 pm0 -172.32 168.67 5.53 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.165 0.507 . . . . 0.0 111.672 -177.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.403 ' HG ' ' HH2' ' A' ' 70' ' ' TRP . 16.3 m -125.67 150.05 47.95 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.824 178.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.416 ' O ' HG22 ' A' ' 52' ' ' VAL . 32.8 m-80 -85.58 105.43 16.16 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 123.268 0.355 . . . . 0.0 110.28 -178.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 46.69 -106.73 0.14 Allowed 'General case' 0 C--N 1.321 -0.632 0 O-C-N 123.848 0.717 . . . . 0.0 112.233 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -142.66 44.2 0.99 Allowed Glycine 0 N--CA 1.44 -1.044 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.294 177.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.726 ' HB ' ' HD2' ' A' ' 53' ' ' PRO . 16.2 m -116.47 174.88 2.19 Favored Pre-proline 0 C--O 1.215 -0.737 0 O-C-N 122.689 -0.301 . . . . 0.0 110.943 -178.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.726 ' HD2' ' HB ' ' A' ' 52' ' ' VAL . 33.0 Cg_exo -52.58 -50.27 14.61 Favored 'Trans proline' 0 C--N 1.356 0.967 0 C-N-CA 123.053 2.502 . . . . 0.0 114.923 178.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.519 ' HG2' HG23 ' A' ' 52' ' ' VAL . 9.5 Cg_endo -55.17 119.98 7.42 Favored 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 121.361 1.374 . . . . 0.0 113.657 -177.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.681 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 9.5 p -127.32 133.37 68.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 114.884 -1.053 . . . . 0.0 108.82 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -99.84 108.88 21.26 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-O 121.488 0.661 . . . . 0.0 110.222 -170.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.453 HG21 HD22 ' A' ' 73' ' ' LEU . 62.2 t -122.83 138.38 53.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.119 -177.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.441 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 43.6 t80 -97.77 120.77 38.75 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.436 0.636 . . . . 0.0 109.468 177.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.416 ' HZ2' HG21 ' A' ' 68' ' ' VAL . 95.9 m95 -100.96 127.99 47.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.41 -176.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.482 ' HG2' ' HA2' ' A' ' 43' ' ' GLY . 8.6 mm-40 -70.33 -40.25 74.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.893 -170.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.8 m -67.27 -39.55 86.07 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 121.684 0.754 . . . . 0.0 111.246 -175.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.4 m -83.3 -31.25 26.98 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.598 177.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.468 ' C ' ' HD2' ' A' ' 64' ' ' ARG . . . 72.2 24.09 76.95 Favored Glycine 0 CA--C 1.524 0.643 0 O-C-N 124.426 1.079 . . . . 0.0 112.284 179.401 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.468 ' HD2' ' C ' ' A' ' 63' ' ' GLY . 8.6 mpt_? -131.8 149.23 52.53 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 115.045 -0.578 . . . . 0.0 109.88 -179.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.441 ' HA ' ' HA ' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -81.71 143.87 31.55 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 174.194 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -147.55 147.42 30.09 Favored 'General case' 0 N--CA 1.437 -1.078 0 N-CA-C 110.491 -0.189 . . . . 0.0 110.491 -174.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.681 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -96.77 114.97 26.65 Favored 'General case' 0 C--O 1.241 0.635 0 O-C-N 124.421 1.076 . . . . 0.0 109.808 177.551 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.564 HG12 ' HB2' ' A' ' 72' ' ' MET . 3.1 t -105.41 169.17 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.86 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -174.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -88.49 136.97 32.73 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 168.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.411 ' HH2' HH21 ' A' ' 19' ' ' ARG . 97.5 m95 -44.75 -49.49 10.57 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -172.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -73.67 2.63 7.74 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.695 -174.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.564 ' HB2' HG12 ' A' ' 68' ' ' VAL . 90.4 mmm -92.24 -18.61 23.18 Favored 'General case' 0 CA--C 1.516 -0.345 0 O-C-N 121.895 -0.503 . . . . 0.0 110.963 -179.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.453 HD22 HG21 ' A' ' 57' ' ' VAL . 3.6 pp -115.29 133.79 55.71 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.554 0.693 . . . . 0.0 110.898 -176.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.437 ' OE1' ' HB3' ' A' ' 4' ' ' MET . 27.6 tt0 -120.06 108.13 13.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.255 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.601 HG22 HG12 ' A' ' 28' ' ' VAL . 12.4 pt -49.94 132.07 9.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 178.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 15.1 tp -103.81 -31.23 9.91 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 114.55 -1.204 . . . . 0.0 108.015 175.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.497 ' HA2' ' SD ' ' A' ' 26' ' ' MET . . . 54.35 -147.66 22.31 Favored Glycine 0 C--N 1.336 0.545 0 CA-C-N 115.698 -0.683 . . . . 0.0 113.54 173.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 99.9 m-85 -89.72 18.9 5.08 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 176.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -89.65 8.47 31.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.757 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.394 177.598 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.647 ' HB2' ' HB2' ' A' ' 7' ' ' GLU . 74.5 mtm . . . . . 0 C--O 1.237 0.399 0 CA-C-O 121.529 0.68 . . . . 0.0 110.207 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.441 HH12 ' HB2' ' A' ' 32' ' ' ASP . 24.5 ptt180 -65.46 -32.49 74.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.826 0.822 . . . . 0.0 111.078 176.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.2 m -91.39 12.77 19.46 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.013 -178.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.647 ' HB2' ' HB2' ' A' ' 4' ' ' MET . 8.4 tt0 -77.6 -24.0 49.76 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.243 0.544 . . . . 0.0 109.667 176.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -73.54 173.36 9.79 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.765 -178.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.86 -46.11 89.43 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.316 -174.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 60.5 m -115.65 -11.12 11.73 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 121.016 0.436 . . . . 0.0 111.294 179.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.61 -35.3 2.67 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.516 -0.849 . . . . 0.0 111.545 -176.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -58.88 -25.45 63.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.708 0.766 . . . . 0.0 110.818 175.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -52.74 -35.53 56.2 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.183 174.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -64.08 -50.05 69.86 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.273 178.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.417 ' HB1' ' HB2' ' A' ' 70' ' ' TRP . . . -57.57 -33.02 67.73 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.919 176.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.1 tp -73.33 -41.06 63.94 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -59.21 -53.37 59.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.881 178.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.2 m -62.43 -37.96 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 O-C-N 123.826 0.704 . . . . 0.0 111.831 -179.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.451 ' HA ' ' CZ3' ' A' ' 70' ' ' TRP . 37.0 ttm180 -52.62 -51.79 58.41 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-O 121.107 0.48 . . . . 0.0 111.838 177.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -79.32 -26.7 42.14 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -174.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.9 p -82.36 -36.13 27.13 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -176.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.416 ' HG ' HG22 ' A' ' 75' ' ' ILE . 31.8 mt -82.59 103.5 12.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 122.478 1.132 . . . . 0.0 112.665 -179.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.769 ' N ' HE21 ' A' ' 23' ' ' GLN . 0.0 OUTLIER -89.81 156.87 46.96 Favored Pre-proline 0 N--CA 1.448 -0.537 0 CA-C-N 114.165 -1.38 . . . . 0.0 110.463 172.147 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.79 122.45 11.02 Favored 'Trans proline' 0 C--O 1.237 0.46 0 C-N-CA 122.113 1.875 . . . . 0.0 111.887 175.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.82 -11.03 49.29 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.127 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.535 ' HE3' ' HA2' ' A' ' 77' ' ' GLY . 88.8 mtp -84.12 138.62 32.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.287 0.565 . . . . 0.0 110.791 178.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 -82.29 149.01 28.02 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 122.196 0.998 . . . . 0.0 111.842 -175.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.406 HG21 HG11 ' A' ' 57' ' ' VAL . 34.9 m -131.05 158.4 43.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 114.321 -1.309 . . . . 0.0 111.054 -171.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.458 ' HB3' ' HB3' ' A' ' 74' ' ' GLU . 43.8 ttm180 -124.26 136.54 54.21 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.573 174.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.515 ' HG2' HG22 ' A' ' 37' ' ' ILE . 11.8 tpt -79.21 108.75 12.95 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.335 0.588 . . . . 0.0 110.161 177.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.509 ' HB2' ' HB2' ' A' ' 74' ' ' GLU . 25.2 tp -90.93 -6.54 53.96 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.06 -0.973 . . . . 0.0 111.618 -173.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.588 ' HB3' ' HB2' ' A' ' 72' ' ' MET . 14.8 t70 -138.38 150.61 46.71 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 -178.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.461 ' HA ' ' HA ' ' A' ' 38' ' ' SER . 5.9 p-10 -86.36 126.8 34.61 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 175.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -151.33 99.66 2.67 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.575 0.702 . . . . 0.0 110.561 -172.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 59.46 -112.07 0.57 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-N 114.83 -1.077 . . . . 0.0 111.816 175.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -72.08 -25.96 61.97 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 122.424 0.29 . . . . 0.0 111.648 -175.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.515 HG22 ' HG2' ' A' ' 30' ' ' MET . 16.7 mm -106.92 151.45 8.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -174.218 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.461 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 34.4 m -132.9 162.65 31.04 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -177.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.64 127.78 33.34 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 121.358 0.599 . . . . 0.0 111.245 -178.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.75 -17.7 38.56 Favored Glycine 0 N--CA 1.442 -0.941 0 CA-C-N 115.175 -0.92 . . . . 0.0 112.971 -178.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -64.31 139.85 58.81 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 172.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -128.17 155.31 44.67 Favored 'General case' 0 CA--C 1.513 -0.446 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.829 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.538 ' HA2' ' HG3' ' A' ' 60' ' ' GLU . . . -163.33 -168.52 25.43 Favored Glycine 0 N--CA 1.431 -1.659 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.551 -173.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -119.88 147.27 44.91 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 121.114 0.483 . . . . 0.0 109.765 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.8 ' HZ ' ' HB3' ' A' ' 48' ' ' SER . 47.4 t80 -86.26 114.13 22.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.595 -179.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 46' ' ' ARG . 3.8 mmp_? -88.55 -57.81 2.78 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.914 0.388 . . . . 0.0 111.262 -177.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -153.59 155.44 36.12 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.517 0.675 . . . . 0.0 109.735 -174.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.8 ' HB3' ' HZ ' ' A' ' 45' ' ' PHE . 9.3 p -125.63 154.29 42.52 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.219 178.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.48 153.98 25.34 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 168.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -76.44 -23.85 53.93 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -168.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -156.05 3.85 0.19 Allowed Glycine 0 N--CA 1.439 -1.135 0 C-N-CA 119.322 -1.418 . . . . 0.0 114.468 -177.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.474 ' HB ' ' HD2' ' A' ' 53' ' ' PRO . 15.8 m -116.48 158.04 44.23 Favored Pre-proline 0 C--O 1.241 0.639 0 CA-C-N 117.755 0.777 . . . . 0.0 111.485 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.574 ' HA ' ' HD1' ' A' ' 70' ' ' TRP . 4.5 Cg_endo -50.43 -42.59 47.97 Favored 'Trans proline' 0 CA--C 1.549 1.274 0 C-N-CA 123.945 3.097 . . . . 0.0 116.543 -177.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 10.3 Cg_endo -55.72 126.34 22.11 Favored 'Trans proline' 0 C--N 1.367 1.543 0 C-N-CA 121.888 1.725 . . . . 0.0 113.728 -177.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.935 HG11 HD11 ' A' ' 73' ' ' LEU . 13.6 p -130.34 140.65 48.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.247 177.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.407 ' HG2' ' HB2' ' A' ' 46' ' ' ARG . 55.3 tt0 -93.47 107.46 19.3 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -177.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.406 HG11 HG21 ' A' ' 28' ' ' VAL . 95.1 t -123.24 132.82 70.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 121.306 0.574 . . . . 0.0 110.391 -178.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.467 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 89.6 t80 -90.65 112.77 24.63 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 175.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.418 ' HZ2' HG21 ' A' ' 68' ' ' VAL . 98.2 m95 -91.04 118.38 30.35 Favored 'General case' 0 C--O 1.214 -0.783 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.238 -178.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.538 ' HG3' ' HA2' ' A' ' 43' ' ' GLY . 42.2 mt-10 -70.64 -35.9 73.15 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.059 -172.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.8 p -63.07 -39.24 94.14 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.116 0.484 . . . . 0.0 111.292 -178.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.4 m -86.75 -39.64 15.77 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-O 121.391 0.615 . . . . 0.0 109.828 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.27 25.32 16.75 Favored Glycine 0 N--CA 1.44 -1.045 0 CA-C-N 114.96 -1.018 . . . . 0.0 112.41 177.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.0 ptp85 -151.48 165.25 34.77 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 122.348 -0.501 . . . . 0.0 109.886 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.467 ' HA ' ' HA ' ' A' ' 58' ' ' PHE . 6.4 m -91.35 149.61 21.66 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.094 0.473 . . . . 0.0 110.631 -177.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -148.99 145.9 27.54 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.594 -177.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.581 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 20.5 m-90 -94.73 114.76 26.71 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.491 HG12 ' H ' ' A' ' 69' ' ' HIS . 2.7 t -110.39 175.99 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.223 -176.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.491 ' H ' HG12 ' A' ' 68' ' ' VAL . 30.2 m170 -108.31 146.83 32.35 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 174.032 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.574 ' HD1' ' HA ' ' A' ' 53' ' ' PRO . 92.5 m95 -55.92 -40.74 73.53 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -173.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -68.39 -7.87 35.31 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 -170.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.588 ' HB2' ' HB3' ' A' ' 32' ' ' ASP . 16.4 ptp -114.9 16.07 17.27 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 120.873 0.368 . . . . 0.0 111.326 178.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.935 HD11 HG11 ' A' ' 55' ' ' VAL . 92.3 mt -101.22 128.67 47.23 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-O 121.092 0.472 . . . . 0.0 112.077 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.509 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . 8.5 tp10 -107.01 134.92 49.44 Favored 'General case' 0 N--CA 1.437 -1.115 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 173.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.416 HG22 ' HG ' ' A' ' 22' ' ' LEU . 25.9 pt -96.04 134.56 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.917 0 CA-C-O 121.464 0.649 . . . . 0.0 111.445 -173.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.0 mt -114.03 1.31 14.61 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.868 178.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.535 ' HA2' ' HE3' ' A' ' 26' ' ' MET . . . 65.78 -117.13 9.41 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 119.969 -1.11 . . . . 0.0 111.702 -175.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -107.97 -38.52 5.79 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 172.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 57.73 19.47 5.6 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.003 173.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 . . . . . 0 C--N 1.327 -0.386 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 -178.371 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 90.1 mtp . . . . . 0 N--CA 1.442 -0.836 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -55.54 -34.31 64.59 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -173.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 m -81.04 12.17 3.55 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -178.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -58.41 -47.89 82.44 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.782 0.801 . . . . 0.0 110.183 178.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -81.9 161.35 23.15 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.192 175.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.8 -32.12 72.39 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.736 -174.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.1 m -105.67 -25.18 12.35 Favored 'General case' 0 C--N 1.314 -0.959 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.914 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.62 -45.8 3.33 Favored Glycine 0 CA--C 1.517 0.183 0 C-N-CA 120.632 -0.794 . . . . 0.0 111.549 -176.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -56.84 -22.05 33.69 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.54 0.686 . . . . 0.0 110.593 172.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.5 m -50.95 -30.28 14.47 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.548 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -59.97 -55.82 29.29 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 174.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.97 -32.24 69.47 Favored 'General case' 0 N--CA 1.453 -0.275 0 O-C-N 124.766 1.291 . . . . 0.0 111.926 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.9 tp -73.33 -42.96 61.68 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 121.842 0.83 . . . . 0.0 110.621 -177.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -64.07 -54.32 35.92 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 114.819 -1.082 . . . . 0.0 111.656 176.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.526 ' O ' ' HB3' ' A' ' 22' ' ' LEU . 35.0 m -60.97 -43.62 96.39 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.809 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.687 -176.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.499 ' HB2' ' CZ3' ' A' ' 70' ' ' TRP . 76.2 ttt180 -56.93 -30.45 64.01 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 118.46 0.573 . . . . 0.0 112.365 178.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -80.82 -53.23 6.66 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.4 -177.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.7 m -86.55 -38.86 16.76 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -172.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.879 HD13 HG12 ' A' ' 75' ' ' ILE . 58.1 tp -72.56 96.62 1.98 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.761 0.791 . . . . 0.0 110.656 -175.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -82.54 153.73 68.25 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.845 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -56.35 116.17 2.99 Favored 'Trans proline' 0 CA--C 1.532 0.385 0 C-N-CA 123.091 2.528 . . . . 0.0 111.396 173.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.08 -13.8 16.58 Favored Glycine 0 N--CA 1.439 -1.113 0 C-N-CA 120.881 -0.675 . . . . 0.0 111.783 -175.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.483 ' HB2' HD12 ' A' ' 22' ' ' LEU . 47.4 mtt -79.31 141.17 37.24 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.415 0.626 . . . . 0.0 110.318 176.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.497 ' O ' ' HB2' ' A' ' 76' ' ' LEU . 44.5 ttt180 -79.75 147.22 31.96 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.709 -178.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.5 m -129.03 157.07 41.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.986 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.456 ' HB2' HD21 ' A' ' 76' ' ' LEU . 39.5 ttm180 -126.68 132.47 51.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.157 -178.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.544 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 14.8 tpt -87.16 128.42 35.13 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.752 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.454 HD23 ' HG2' ' A' ' 74' ' ' GLU . 0.4 OUTLIER -115.18 14.57 16.99 Favored 'General case' 0 C--N 1.311 -1.074 0 C-N-CA 120.509 -0.476 . . . . 0.0 111.396 -179.854 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.404 ' H ' ' HG3' ' A' ' 30' ' ' MET . 35.3 t70 -140.1 156.28 46.64 Favored 'General case' 0 C--O 1.248 0.999 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.142 -178.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -95.51 123.42 39.04 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -159.2 102.71 1.61 Allowed 'General case' 0 C--O 1.235 0.338 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -175.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 73.53 -26.22 0.19 Allowed 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 159.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -175.53 -38.5 0.01 OUTLIER 'General case' 0 C--N 1.311 -1.093 0 CA-C-O 121.354 0.597 . . . . 0.0 109.699 -169.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.464 HG22 ' HG2' ' A' ' 30' ' ' MET . 15.9 mm -95.54 146.72 6.61 Favored 'Isoleucine or valine' 0 C--O 1.245 0.838 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.253 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.9 m -123.72 167.29 14.21 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.923 0.392 . . . . 0.0 110.308 -176.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.03 125.95 27.95 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.264 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.2 -16.49 42.04 Favored Glycine 0 C--O 1.225 -0.463 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.08 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -73.98 153.05 39.9 Favored 'General case' 0 C--O 1.213 -0.867 0 CA-C-O 121.209 0.528 . . . . 0.0 109.798 176.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.504 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 41.8 mt-10 -131.65 161.48 32.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.645 -177.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -162.68 -171.6 29.08 Favored Glycine 0 N--CA 1.453 -0.205 0 CA-C-N 114.854 -1.067 . . . . 0.0 111.528 178.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -116.02 142.12 47.21 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 117.004 0.402 . . . . 0.0 110.409 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -88.3 124.34 33.8 Favored 'General case' 0 C--N 1.315 -0.932 0 O-C-N 124.011 0.82 . . . . 0.0 110.635 -178.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.425 ' CD ' ' HB2' ' A' ' 58' ' ' PHE . 17.2 mtp180 -106.51 -55.05 2.38 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -148.21 152.8 37.84 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.423 -0.511 . . . . 0.0 112.076 -169.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.501 ' HB3' ' CH2' ' A' ' 70' ' ' TRP . 42.5 m -126.72 155.0 43.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.853 172.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -84.2 179.38 7.49 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 175.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -62.01 -62.74 1.57 Allowed 'General case' 0 CA--C 1.53 0.185 0 O-C-N 123.433 0.458 . . . . 0.0 111.112 -174.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -153.62 29.36 0.76 Allowed Glycine 0 C--O 1.241 0.546 0 C-N-CA 119.509 -1.329 . . . . 0.0 112.979 -176.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.464 ' HB ' ' HD2' ' A' ' 53' ' ' PRO . 15.6 m -107.37 162.15 20.71 Favored Pre-proline 0 N--CA 1.451 -0.425 0 CA-C-N 117.268 0.534 . . . . 0.0 111.372 178.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.464 ' HD2' ' HB ' ' A' ' 52' ' ' VAL . 31.3 Cg_exo -52.05 -44.96 42.0 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.87 2.38 . . . . 0.0 115.068 179.112 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -54.7 130.49 40.63 Favored 'Trans proline' 0 CA--C 1.546 1.106 0 C-N-CA 121.932 1.754 . . . . 0.0 113.675 -178.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.607 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 14.9 p -130.65 136.84 57.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.053 -0.976 . . . . 0.0 108.968 173.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -98.0 109.35 22.12 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.569 0.7 . . . . 0.0 110.724 -171.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 96.9 t -121.05 138.68 50.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.428 -177.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.425 ' HB2' ' CD ' ' A' ' 46' ' ' ARG . 88.7 t80 -92.72 109.63 21.06 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 176.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.544 ' CH2' ' HB2' ' A' ' 30' ' ' MET . 99.8 m95 -89.37 117.28 28.19 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 -176.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 10.7 pt-20 -72.33 -19.62 61.62 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.003 -0.998 . . . . 0.0 110.015 -176.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.5 t -67.59 -45.77 74.53 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.47 178.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.5 m -93.85 -25.86 17.16 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.738 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.71 28.06 55.66 Favored Glycine 0 N--CA 1.437 -1.239 0 N-CA-C 111.975 -0.45 . . . . 0.0 111.975 -176.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -136.0 156.23 49.05 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.375 -0.413 . . . . 0.0 111.613 -175.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 p -83.49 136.06 34.43 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 121.435 0.636 . . . . 0.0 109.573 171.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.437 ' HB3' ' CD1' ' A' ' 59' ' ' TRP . 44.3 t80 -141.56 147.12 37.18 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.582 -175.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.607 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 32.6 m-90 -98.29 115.5 28.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 123.545 0.528 . . . . 0.0 110.288 176.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.532 ' O ' HG12 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -114.48 -178.41 1.07 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.701 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -177.743 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.666 ' O ' ' HG2' ' A' ' 72' ' ' MET . 27.8 m170 -98.43 136.43 38.58 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 120.27 -0.572 . . . . 0.0 109.981 172.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.501 ' CH2' ' HB3' ' A' ' 48' ' ' SER . 25.9 m95 -45.25 -51.85 10.29 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.384 0.674 . . . . 0.0 112.57 178.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 27.7 p80 -72.27 -6.21 41.44 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -170.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.666 ' HG2' ' O ' ' A' ' 69' ' ' HIS . 15.5 ptm -107.71 19.45 20.12 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 121.623 -0.673 . . . . 0.0 110.99 -176.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 70' ' ' TRP . 4.2 pp -136.29 154.76 50.79 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 120.437 -0.505 . . . . 0.0 111.332 178.006 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.454 ' HG2' HD23 ' A' ' 31' ' ' LEU . 4.5 mm-40 -101.66 140.33 36.09 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.953 178.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.879 HG12 HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -94.77 121.12 45.08 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 CA-C-O 122.074 0.94 . . . . 0.0 109.925 178.793 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.497 ' HB2' ' O ' ' A' ' 27' ' ' ARG . 4.4 mm? -95.48 -56.01 2.84 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.241 177.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.422 ' HA2' ' SD ' ' A' ' 26' ' ' MET . . . 86.96 -120.97 5.63 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.046 -1.074 . . . . 0.0 111.816 -177.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -138.25 -94.22 0.19 Allowed 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 123.382 0.673 . . . . 0.0 110.224 176.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 65.75 -63.46 0.22 Allowed 'General case' 0 C--N 1.35 0.608 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 175.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 . . . . . 0 N--CA 1.452 -0.374 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.509 179.186 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 88.3 mtp . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.542 ' HD2' ' H ' ' A' ' 5' ' ' ARG . 4.3 mpt_? -65.26 -28.69 69.52 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.696 0.76 . . . . 0.0 109.708 174.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -71.1 13.58 0.2 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.844 0.858 . . . . 0.0 112.075 -177.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -72.73 18.42 0.1 Allowed 'General case' 0 C--O 1.238 0.465 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -177.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -58.72 -178.18 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.868 0.366 . . . . 0.0 111.308 176.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -46.7 -47.39 20.44 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -175.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.2 t -132.57 9.92 4.34 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 174.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.17 8.54 79.35 Favored Glycine 0 N--CA 1.441 -1.022 0 C-N-CA 120.541 -0.837 . . . . 0.0 111.768 -174.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -68.86 -43.39 75.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 119.201 -0.428 . . . . 0.0 111.67 -172.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.3 m -51.3 -42.41 61.16 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 118.461 0.573 . . . . 0.0 111.513 177.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.478 ' OH ' HD11 ' A' ' 31' ' ' LEU . 36.5 t80 -66.79 -49.17 66.72 Favored 'General case' 0 C--O 1.245 0.816 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.717 ' O ' ' HG3' ' A' ' 19' ' ' ARG . . . -55.0 -38.96 68.55 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.852 0.72 . . . . 0.0 112.059 175.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.4 tp -66.76 -46.3 75.83 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 121.61 0.719 . . . . 0.0 110.595 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -58.76 -53.94 52.65 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.702 -1.135 . . . . 0.0 110.733 -178.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.0 m -60.75 -42.27 91.52 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 CA-C-N 115.756 -0.657 . . . . 0.0 112.378 -174.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.717 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 47.9 mtm180 -55.35 -41.68 72.83 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 121.266 0.555 . . . . 0.0 111.836 179.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -83.57 -45.11 13.9 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.57 -175.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.3 m -81.32 -33.56 32.43 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -172.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.796 HD11 HG12 ' A' ' 28' ' ' VAL . 2.3 tt -95.26 95.46 8.52 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.612 0.72 . . . . 0.0 109.457 -175.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -91.72 158.3 40.39 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.559 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -51.06 123.22 11.4 Favored 'Trans proline' 0 C--O 1.24 0.614 0 C-N-CA 123.0 2.466 . . . . 0.0 111.57 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.79 -27.1 8.06 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.129 -176.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.645 ' SD ' ' HA2' ' A' ' 77' ' ' GLY . 16.3 mmt -73.21 137.79 45.23 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 178.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.551 ' HG3' ' O ' ' A' ' 43' ' ' GLY . 36.1 ttm180 -75.37 147.53 39.96 Favored 'General case' 0 C--O 1.242 0.696 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.861 173.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.796 HG12 HD11 ' A' ' 22' ' ' LEU . 20.9 m -122.79 156.18 28.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 O-C-N 123.424 0.452 . . . . 0.0 110.155 -176.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -126.31 139.88 52.96 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.334 0.588 . . . . 0.0 110.09 170.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 12.9 tpt -84.95 122.83 29.76 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.053 -177.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.763 HD21 ' HB2' ' A' ' 74' ' ' GLU . 75.9 mt -79.32 -39.47 32.73 Favored 'General case' 0 C--O 1.243 0.712 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -175.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -129.36 159.85 34.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.51 -173.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.437 ' HA ' ' HA ' ' A' ' 38' ' ' SER . 12.0 m-20 -78.78 125.24 29.1 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -151.05 100.87 2.83 Favored 'General case' 0 C--N 1.311 -1.068 0 C-N-CA 119.722 -0.791 . . . . 0.0 112.317 -169.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 69.27 -26.11 0.15 Allowed 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 163.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -167.48 -40.13 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.449 0.642 . . . . 0.0 109.856 -169.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 29.5 mm -101.66 153.17 5.13 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.206 0 CA-C-N 113.908 -1.496 . . . . 0.0 108.534 -175.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.437 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 0.4 OUTLIER -121.07 164.36 16.92 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.298 -177.328 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.93 130.37 44.47 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.92 -17.15 42.2 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 120.238 -0.982 . . . . 0.0 112.505 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -71.96 155.25 40.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.499 0.666 . . . . 0.0 110.391 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -137.36 160.05 40.2 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.348 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.551 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -162.27 -170.72 27.45 Favored Glycine 0 N--CA 1.443 -0.877 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.382 -177.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -119.88 140.85 50.2 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 117.697 0.749 . . . . 0.0 109.925 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.482 ' CD2' HD22 ' A' ' 22' ' ' LEU . 5.8 t80 -86.62 121.81 29.65 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -175.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 42.2 mtp85 -104.92 -57.07 2.08 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 120.416 -0.514 . . . . 0.0 111.462 -178.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -147.41 150.03 33.88 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.452 0.644 . . . . 0.0 111.237 -168.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 53.0 p -117.23 128.58 55.23 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 171.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.408 ' O ' HG22 ' A' ' 52' ' ' VAL . 95.0 m-20 -83.01 106.02 14.48 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.534 -0.467 . . . . 0.0 111.275 -169.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.511 HD22 ' N ' ' A' ' 50' ' ' ASN . 0.8 OUTLIER 72.66 -39.6 0.45 Allowed 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.832 171.106 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 126.64 58.04 0.14 Allowed Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 119.934 -1.127 . . . . 0.0 111.297 -175.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.631 ' HB ' ' HD2' ' A' ' 53' ' ' PRO . 3.9 m -151.8 167.14 13.72 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -175.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.699 ' HA ' ' HD1' ' A' ' 70' ' ' TRP . 3.7 Cg_exo -40.33 -48.97 4.05 Favored 'Trans proline' 0 CA--C 1.548 1.18 0 C-N-CA 124.024 3.15 . . . . 0.0 115.707 178.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.597 ' HG2' HG23 ' A' ' 52' ' ' VAL . 15.4 Cg_endo -60.3 126.88 21.25 Favored 'Trans proline' 0 C--N 1.361 1.207 0 C-N-CA 121.592 1.528 . . . . 0.0 113.045 177.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.597 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 7.6 p -130.64 141.05 47.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.936 -176.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.558 ' OE1' ' HB ' ' A' ' 65' ' ' THR . 6.1 tp-100 -95.91 107.98 20.3 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 120.934 0.397 . . . . 0.0 110.089 -177.051 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.408 HG11 HG21 ' A' ' 28' ' ' VAL . 95.1 t -121.37 133.22 68.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.908 -177.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -89.26 118.14 28.74 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 174.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -91.07 112.77 24.81 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.306 -176.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.469 ' H ' ' HA2' ' A' ' 43' ' ' GLY . 34.5 mt-10 -68.7 -36.99 79.19 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.336 0.588 . . . . 0.0 110.735 -176.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.5 t -61.43 -39.32 90.38 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.658 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.9 m -90.07 -54.58 3.97 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 121.239 0.543 . . . . 0.0 111.517 -178.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.37 20.83 6.82 Favored Glycine 0 N--CA 1.441 -1.007 0 CA-C-N 115.195 -0.912 . . . . 0.0 112.265 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -141.66 160.96 39.09 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.36 0.6 . . . . 0.0 110.299 -178.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.558 ' HB ' ' OE1' ' A' ' 56' ' ' GLN . 12.3 p -86.56 156.59 20.0 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.196 171.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -159.12 146.47 17.35 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.597 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 13.3 m-90 -89.5 114.61 26.15 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 177.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.586 HG12 ' H ' ' A' ' 69' ' ' HIS . 1.4 t -111.87 -155.02 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.966 -174.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.586 ' H ' HG12 ' A' ' 68' ' ' VAL . 22.3 m80 -138.8 135.33 34.51 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 -172.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.699 ' HD1' ' HA ' ' A' ' 53' ' ' PRO . 96.9 m95 -51.54 -48.67 62.96 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -179.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -70.89 -0.04 8.32 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -171.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 16.5 ptp -122.31 14.61 10.46 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.079 0.854 . . . . 0.0 112.925 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.0 mt -112.3 134.67 53.71 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-O 120.617 0.246 . . . . 0.0 110.612 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.763 ' HB2' HD21 ' A' ' 31' ' ' LEU . 77.7 tt0 -94.12 130.43 40.31 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 176.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.521 HG12 ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -78.6 118.16 25.33 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 CA-C-O 121.486 0.66 . . . . 0.0 109.427 176.585 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 24.1 tp -108.73 -53.92 2.58 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.404 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.645 ' HA2' ' SD ' ' A' ' 26' ' ' MET . . . 102.05 -135.29 12.15 Favored Glycine 0 CA--C 1.503 -0.698 0 C-N-CA 120.631 -0.795 . . . . 0.0 111.6 179.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -166.65 -36.69 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 177.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.484 ' CD ' ' H ' ' A' ' 79' ' ' GLU . 1.7 mp0 -65.6 -37.17 85.86 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.527 0.68 . . . . 0.0 109.394 178.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 . . . . . 0 C--N 1.317 -0.821 0 O-C-N 122.051 -0.405 . . . . 0.0 111.505 -176.815 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.444 -0.752 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 71' ' ' HIS . 19.2 tpt180 -56.51 -27.63 57.84 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 123.767 0.667 . . . . 0.0 111.794 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 m -79.83 12.76 2.48 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 116.242 -0.436 . . . . 0.0 112.092 -177.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -74.72 7.27 3.18 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -71.77 177.36 4.23 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 119.476 -0.297 . . . . 0.0 111.116 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -46.95 -48.5 21.48 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 124.127 0.892 . . . . 0.0 112.984 -169.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.7 t -128.57 18.31 6.32 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-O 121.187 0.518 . . . . 0.0 110.022 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.49 -59.95 2.42 Favored Glycine 0 C--N 1.336 0.528 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.282 -178.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -62.37 -25.54 67.97 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 122.469 0.307 . . . . 0.0 111.056 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 m -51.2 -31.88 21.86 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 121.137 0.494 . . . . 0.0 112.082 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.481 ' CD2' ' HA ' ' A' ' 71' ' ' HIS . 61.5 t80 -66.2 -50.11 64.99 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.11 179.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.67 -32.75 69.4 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.99 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.0 tp -73.59 -46.25 48.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.634 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -59.29 -53.05 62.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.774 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.5 m -61.59 -40.35 86.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.56 177.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.6 ttt180 -57.76 -47.16 83.27 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.387 0.613 . . . . 0.0 111.945 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -74.73 -20.47 59.82 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.252 -0.885 . . . . 0.0 112.18 -175.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 m -99.78 -29.6 12.53 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.63 0.729 . . . . 0.0 111.468 -176.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.436 HD13 HG13 ' A' ' 75' ' ' ILE . 32.6 tp -79.03 105.86 10.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.547 -176.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -86.14 151.07 53.69 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.195 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -55.68 126.26 21.87 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 122.752 2.301 . . . . 0.0 111.522 176.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.78 -17.67 38.52 Favored Glycine 0 C--N 1.314 -0.693 0 O-C-N 124.063 0.852 . . . . 0.0 112.613 -177.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 41.9 mtt -71.04 144.95 50.21 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.077 0.465 . . . . 0.0 111.096 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -83.79 143.02 30.24 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.081 176.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.3 m -126.98 158.91 37.63 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.729 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 29' ' ' ARG . 27.7 ttp180 -129.47 136.87 50.43 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-O 121.068 0.461 . . . . 0.0 112.094 173.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.464 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . 10.3 tpt -71.74 130.97 42.42 Favored 'General case' 0 CA--C 1.5 -0.967 0 CA-C-N 115.006 -0.997 . . . . 0.0 108.994 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.7 tp -113.37 -20.98 11.13 Favored 'General case' 0 N--CA 1.435 -1.186 0 O-C-N 124.341 1.026 . . . . 0.0 109.978 -171.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.551 ' HB3' ' HB2' ' A' ' 72' ' ' MET . 27.8 t70 -114.16 150.04 34.79 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.052 178.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -95.19 144.15 26.03 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.164 0.507 . . . . 0.0 110.396 -177.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -158.67 155.5 28.25 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.31 -174.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.413 ' CD ' ' H ' ' A' ' 35' ' ' GLU . 2.6 mp0 -48.17 -42.42 29.62 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 179.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.442 ' HG3' ' CE1' ' A' ' 66' ' ' TYR . 39.0 mm-40 -77.07 -62.15 1.75 Allowed 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 120.861 0.362 . . . . 0.0 111.549 -178.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 32.4 mm -116.78 149.96 18.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.45 -175.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.6 m -122.75 151.54 41.5 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -172.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.17 135.47 57.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.091 0.472 . . . . 0.0 110.745 -176.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.16 -18.51 45.56 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.388 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -68.67 139.25 55.43 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 177.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.659 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 48.1 mt-10 -112.43 148.28 34.69 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.177 -178.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -152.28 176.87 30.37 Favored Glycine 0 CA--C 1.495 -1.193 0 C-N-CA 119.694 -1.241 . . . . 0.0 112.59 -177.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -108.26 143.32 37.26 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -89.72 115.27 26.95 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 175.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -100.12 -53.8 3.05 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 123.718 0.636 . . . . 0.0 110.684 -176.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.5 ' O ' ' HB3' ' A' ' 56' ' ' GLN . 5.0 pp0? -170.99 165.14 7.6 Favored 'General case' 0 C--N 1.316 -0.882 0 O-C-N 124.382 1.051 . . . . 0.0 109.397 -178.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.544 ' OG ' HG23 ' A' ' 55' ' ' VAL . 53.0 m -153.98 -176.86 6.05 Favored 'General case' 0 CA--C 1.508 -0.645 0 O-C-N 121.356 -0.84 . . . . 0.0 111.615 178.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.517 HD22 ' N ' ' A' ' 49' ' ' ASN . 0.8 OUTLIER -88.25 107.72 18.94 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 106.039 -1.837 . . . . 0.0 106.039 172.787 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -76.37 69.41 2.85 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.87 -163.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 163.27 -2.39 0.06 OUTLIER Glycine 0 CA--C 1.528 0.875 0 CA-C-N 115.586 -0.734 . . . . 0.0 113.655 174.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.748 ' HB ' ' HD2' ' A' ' 53' ' ' PRO . 10.7 m -135.37 166.66 27.14 Favored Pre-proline 0 C--O 1.238 0.494 0 O-C-N 122.355 -0.497 . . . . 0.0 111.332 -179.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.748 ' HD2' ' HB ' ' A' ' 52' ' ' VAL . 6.4 Cg_endo -48.24 -43.82 30.55 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 124.225 3.283 . . . . 0.0 117.119 -178.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 12.4 Cg_endo -55.42 116.4 3.12 Favored 'Trans proline' 0 C--N 1.367 1.52 0 C-N-CA 121.779 1.653 . . . . 0.0 113.643 -176.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.544 HG23 ' OG ' ' A' ' 48' ' ' SER . 7.7 p -119.57 128.28 75.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.693 174.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.5 ' HB3' ' O ' ' A' ' 47' ' ' GLN . 6.4 tp60 -95.02 110.63 22.52 Favored 'General case' 0 C--O 1.24 0.565 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -176.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.407 HG21 HD21 ' A' ' 73' ' ' LEU . 94.6 t -123.74 140.93 45.73 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.11 -173.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -94.87 110.39 22.28 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 174.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.464 ' CZ3' ' HB2' ' A' ' 30' ' ' MET . 89.4 m95 -94.71 125.65 39.51 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.777 -175.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.659 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 11.7 pt-20 -71.14 -44.13 66.17 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -171.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.5 m -63.76 -41.52 97.98 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.836 0.827 . . . . 0.0 111.349 -175.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.8 m -81.84 -23.04 36.65 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 122.24 1.019 . . . . 0.0 109.853 176.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 61.27 33.93 86.27 Favored Glycine 0 CA--C 1.51 -0.276 0 CA-C-N 114.898 -1.046 . . . . 0.0 111.729 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 64' ' ' ARG . 21.8 mtp85 -139.02 151.44 46.81 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 123.541 0.736 . . . . 0.0 111.194 -177.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.7 p -84.27 144.47 28.88 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.612 0.72 . . . . 0.0 110.134 171.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.442 ' CE1' ' HG3' ' A' ' 36' ' ' GLU . 59.2 t80 -152.36 144.46 23.84 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -177.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.457 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 13.3 m-90 -90.91 114.5 26.98 Favored 'General case' 0 C--O 1.242 0.681 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 177.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -111.47 179.69 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.209 -176.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.614 ' O ' ' HG2' ' A' ' 72' ' ' MET . 17.4 m-70 -102.63 136.27 42.76 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 121.461 -0.775 . . . . 0.0 109.663 173.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.521 ' HD1' ' HA ' ' A' ' 53' ' ' PRO . 94.7 m95 -51.1 -38.21 50.42 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -176.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.481 ' HA ' ' CD2' ' A' ' 14' ' ' TYR . 27.1 p80 -67.91 -14.97 63.39 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -170.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.614 ' HG2' ' O ' ' A' ' 69' ' ' HIS . 9.9 ptm -107.64 13.46 26.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 121.817 -0.552 . . . . 0.0 111.379 -175.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.407 HD21 HG21 ' A' ' 57' ' ' VAL . 9.8 mp -114.33 137.65 51.54 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.199 0.523 . . . . 0.0 110.866 177.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -96.96 130.73 44.24 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 174.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.436 HG13 HD13 ' A' ' 22' ' ' LEU . 10.5 tt -89.22 126.48 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.345 -175.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.404 HD11 ' HB2' ' A' ' 29' ' ' ARG . 63.2 mt -101.27 -71.36 0.71 Allowed 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.742 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 138.49 -140.18 10.87 Favored Glycine 0 C--N 1.313 -0.714 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 -176.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -132.77 81.95 1.97 Allowed 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 117.544 0.672 . . . . 0.0 110.747 176.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 72.33 -58.84 0.58 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.016 178.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 . . . . . 0 C--N 1.325 -0.457 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 175.466 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.672 ' HG2' ' H ' ' A' ' 6' ' ' SER . 46.2 ttp . . . . . 0 N--CA 1.448 -0.571 0 CA-C-O 120.726 0.298 . . . . 0.0 110.242 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.55 ' O ' ' HD2' ' A' ' 8' ' ' PHE . 36.0 ttp-105 -60.22 -30.32 69.32 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.538 0.685 . . . . 0.0 111.88 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.672 ' H ' ' HG2' ' A' ' 4' ' ' MET . 12.5 m -78.29 0.67 24.45 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.232 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.43 ' HG3' ' HB3' ' A' ' 4' ' ' MET . 50.1 mt-10 -88.62 -5.59 58.06 Favored 'General case' 0 C--N 1.316 -0.863 0 O-C-N 122.167 -0.333 . . . . 0.0 111.682 178.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.55 ' HD2' ' O ' ' A' ' 5' ' ' ARG . 62.5 m-85 -66.63 167.57 10.81 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 175.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.89 -45.52 41.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.463 0.649 . . . . 0.0 111.27 -176.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.9 p -132.54 -0.17 3.58 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.849 178.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.65 -43.64 3.19 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 119.957 -1.116 . . . . 0.0 111.486 -172.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -58.83 -24.54 62.13 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 114.96 -0.62 . . . . 0.0 110.87 175.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 m -53.89 -30.04 44.25 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 123.383 0.673 . . . . 0.0 111.066 179.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.569 ' OH ' ' HA ' ' A' ' 74' ' ' GLU . 81.7 t80 -67.56 -45.91 74.24 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.183 176.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.573 ' HB1' ' HB2' ' A' ' 70' ' ' TRP . . . -60.3 -31.43 70.25 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.871 175.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.5 tp -70.77 -36.23 72.97 Favored 'General case' 0 N--CA 1.434 -1.244 0 CA-C-O 121.447 0.641 . . . . 0.0 110.157 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -64.86 -52.19 57.98 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.596 -1.184 . . . . 0.0 110.859 178.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.424 HG22 ' HA ' ' A' ' 15' ' ' ALA . 35.3 m -63.52 -34.21 66.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.488 ' HA ' ' CZ3' ' A' ' 70' ' ' TRP . 0.2 OUTLIER -54.13 -43.93 70.9 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.84 0.352 . . . . 0.0 110.196 173.456 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -77.56 -55.25 5.52 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.482 -175.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.4 m -89.36 -33.47 16.87 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -167.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.686 HD11 HG12 ' A' ' 28' ' ' VAL . 2.2 tt -79.34 98.4 6.69 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -176.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -93.76 162.63 26.67 Favored Pre-proline 0 N--CA 1.445 -0.684 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.078 -176.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.29 121.67 10.34 Favored 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 123.399 2.733 . . . . 0.0 111.621 174.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.29 -26.01 8.93 Favored Glycine 0 N--CA 1.439 -1.118 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -176.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 39.8 mtt -77.89 134.75 37.86 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.217 0.532 . . . . 0.0 111.1 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.601 ' HG3' ' O ' ' A' ' 43' ' ' GLY . 38.1 ttm180 -67.94 148.43 51.1 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.627 176.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.686 HG12 HD11 ' A' ' 22' ' ' LEU . 27.1 m -126.22 154.0 35.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.713 -178.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.737 ' HB3' ' HB3' ' A' ' 74' ' ' GLU . 43.4 ttm180 -120.39 124.59 45.88 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.985 177.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.553 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 12.3 tpt -78.03 119.16 21.08 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.689 HD11 ' HB2' ' A' ' 74' ' ' GLU . 93.0 mt -101.03 16.76 24.3 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 -175.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -161.55 151.58 17.07 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 121.731 -0.605 . . . . 0.0 110.735 -176.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.563 ' HA ' ' HA ' ' A' ' 38' ' ' SER . 12.0 t70 -89.9 126.43 35.71 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 176.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -153.49 103.75 2.68 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -170.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 69.99 -15.18 0.34 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.314 1.446 . . . . 0.0 114.297 166.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.538 ' HG3' HG12 ' A' ' 37' ' ' ILE . 9.8 pt-20 172.8 -31.38 0.0 OUTLIER 'General case' 0 C--O 1.24 0.594 0 CA-C-O 121.435 0.636 . . . . 0.0 110.655 -175.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.542 HG22 ' HG2' ' A' ' 30' ' ' MET . 36.1 mm -95.48 151.76 3.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 -179.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.563 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 47.2 p -124.65 167.79 14.05 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 118.673 0.67 . . . . 0.0 110.609 -175.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.09 128.19 35.11 Favored 'General case' 0 N--CA 1.427 -1.58 0 CA-C-O 121.473 0.654 . . . . 0.0 109.384 178.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.72 -13.6 46.23 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.894 -177.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -66.48 130.31 42.77 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 172.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -116.39 147.82 41.27 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.634 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.601 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -154.33 -170.42 20.18 Favored Glycine 0 C--N 1.308 -0.982 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.959 -171.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -125.73 147.82 49.25 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 117.551 0.676 . . . . 0.0 109.824 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -94.07 121.75 35.87 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -175.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.445 ' HB2' ' OE1' ' A' ' 47' ' ' GLN . 20.8 mtm180 -108.61 -47.61 3.46 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.202 -0.599 . . . . 0.0 112.413 -175.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.612 ' HG2' ' HB3' ' A' ' 56' ' ' GLN . 0.5 OUTLIER -157.21 160.45 38.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.994 0.426 . . . . 0.0 111.613 -174.636 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.4 m -129.28 153.76 47.49 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.947 175.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.469 HD22 ' N ' ' A' ' 49' ' ' ASN . 0.8 OUTLIER -90.16 105.49 17.84 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 175.085 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.5 p30 34.08 -97.71 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.463 1.105 . . . . 0.0 113.72 -176.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -142.01 42.62 1.13 Allowed Glycine 0 CA--C 1.506 -0.495 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.61 ' HB ' ' HD2' ' A' ' 53' ' ' PRO . 23.1 m -118.86 166.65 13.59 Favored Pre-proline 0 C--N 1.322 -0.608 0 O-C-N 123.727 0.31 . . . . 0.0 111.261 -178.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.61 ' HD2' ' HB ' ' A' ' 52' ' ' VAL . 33.9 Cg_exo -51.05 -52.08 9.85 Favored 'Trans proline' 0 CA--C 1.536 0.581 0 C-N-CA 122.805 2.336 . . . . 0.0 114.273 -179.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.457 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 10.5 Cg_endo -54.62 115.22 2.25 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 122.093 1.862 . . . . 0.0 113.54 -176.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.715 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 11.7 p -129.57 139.57 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.953 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.658 177.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.612 ' HB3' ' HG2' ' A' ' 47' ' ' GLN . 18.9 tp60 -96.36 109.23 21.79 Favored 'General case' 0 C--O 1.254 1.302 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.332 -175.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.504 HG21 HD21 ' A' ' 73' ' ' LEU . 96.3 t -118.77 136.11 57.03 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 -178.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -95.21 115.5 27.51 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 175.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.553 ' CH2' ' HB2' ' A' ' 30' ' ' MET . 95.2 m95 -87.1 113.29 22.71 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -177.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.525 ' HG3' ' HA2' ' A' ' 43' ' ' GLY . 41.9 mt-10 -70.2 -38.34 75.28 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.356 0.598 . . . . 0.0 110.609 -172.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.7 p -66.03 -35.07 79.55 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.544 -178.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.69 -53.36 4.45 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 121.471 0.653 . . . . 0.0 110.465 179.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.41 16.05 12.78 Favored Glycine 0 N--CA 1.438 -1.173 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.457 179.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.6 mtm-85 -130.37 154.49 47.63 Favored 'General case' 0 CA--C 1.515 -0.367 0 O-C-N 122.524 -0.398 . . . . 0.0 110.612 -178.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.435 ' HB ' ' NE2' ' A' ' 56' ' ' GLN . 6.5 p -87.11 149.06 24.94 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 121.767 0.794 . . . . 0.0 110.83 171.176 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -150.68 145.44 25.83 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.492 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.715 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 4.7 m-90 -88.95 114.82 25.99 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 174.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.49 ' O ' HG12 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -112.2 178.21 1.4 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.123 -175.131 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.537 ' HB2' ' SD ' ' A' ' 72' ' ' MET . 38.0 m170 -103.69 135.93 44.33 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.449 174.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.573 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . 63.7 m95 -49.46 -44.77 45.96 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -174.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -65.84 -9.04 25.35 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -172.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.537 ' SD ' ' HB2' ' A' ' 69' ' ' HIS . 2.9 ptm -109.66 9.36 25.03 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.561 0.696 . . . . 0.0 111.585 -177.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.504 HD21 HG21 ' A' ' 57' ' ' VAL . 10.8 mp -108.93 135.98 49.22 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.889 178.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.737 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . 30.6 tt0 -103.47 141.56 35.77 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 173.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.718 HG12 ' H ' ' A' ' 77' ' ' GLY . 6.8 tt -91.21 131.02 39.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 120.981 0.42 . . . . 0.0 111.814 -174.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 29' ' ' ARG . 8.6 mp -109.85 42.08 1.58 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 176.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.718 ' H ' HG12 ' A' ' 75' ' ' ILE . . . -83.13 66.95 3.84 Favored Glycine 0 N--CA 1.448 -0.558 0 O-C-N 124.179 0.924 . . . . 0.0 111.399 -178.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 43.8 p90 44.69 33.77 1.02 Allowed 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.262 1.025 . . . . 0.0 113.316 177.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -96.63 -38.76 9.81 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 175.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 . . . . . 0 C--N 1.32 -0.69 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 175.464 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 36.2 ttm . . . . . 0 N--CA 1.449 -0.519 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 5' ' ' ARG . 0.7 OUTLIER -59.6 -28.18 66.94 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 175.511 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.8 m -75.64 10.51 1.71 Allowed 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.305 -177.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -72.3 -20.37 61.52 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 173.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.615 ' HB3' ' HB ' ' A' ' 13' ' ' THR . 67.5 m-85 -72.34 162.86 28.89 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 173.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.19 -46.9 65.76 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -175.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.3 p -128.98 7.66 5.57 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.11 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.99 -49.97 3.59 Favored Glycine 0 C--O 1.217 -0.955 0 C-N-CA 119.762 -1.209 . . . . 0.0 111.515 -174.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -63.89 -22.34 66.87 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 175.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.615 ' HB ' ' HB3' ' A' ' 8' ' ' PHE . 1.1 m -52.15 -26.79 12.25 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 173.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.474 ' O ' HG12 ' A' ' 18' ' ' VAL . 65.5 t80 -65.78 -50.05 66.12 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 173.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.96 -32.49 61.55 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 111.323 173.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.2 tp -73.26 -41.91 63.13 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.071 177.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -61.13 -49.06 78.78 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.632 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.612 HG23 ' CG2' ' A' ' 75' ' ' ILE . 2.5 p -62.21 -42.67 96.11 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.205 178.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.573 ' HD3' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -65.67 -37.08 85.5 Favored 'General case' 0 C--O 1.246 0.904 0 CA-C-O 120.566 0.222 . . . . 0.0 110.428 177.61 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -70.3 -28.5 65.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.134 0.492 . . . . 0.0 111.478 -178.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.2 m -90.32 -39.96 12.4 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.567 -176.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 22' ' ' LEU . 16.8 mt -69.84 103.59 2.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 122.49 1.138 . . . . 0.0 112.249 -175.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -79.75 142.92 57.5 Favored Pre-proline 0 N--CA 1.44 -0.948 0 CA-C-N 114.408 -1.269 . . . . 0.0 109.864 171.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -50.58 107.92 0.19 Allowed 'Trans proline' 0 C--O 1.238 0.525 0 C-N-CA 123.313 2.675 . . . . 0.0 112.132 175.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.42 -16.11 9.85 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.142 -175.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.54 ' HB3' ' HA2' ' A' ' 77' ' ' GLY . 46.9 mtt -68.77 143.17 54.73 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 120.725 0.297 . . . . 0.0 111.462 177.027 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.71 ' HG3' ' O ' ' A' ' 43' ' ' GLY . 10.2 ttm180 -85.05 148.03 26.36 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.277 0.56 . . . . 0.0 110.561 -178.328 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.7 m -129.1 155.15 40.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.977 0.894 . . . . 0.0 110.548 -176.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.458 ' HB3' ' HB3' ' A' ' 74' ' ' GLU . 51.4 ttt-85 -121.1 137.45 54.66 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.449 176.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.536 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . 12.7 tpt -85.52 118.48 25.07 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 123.067 0.547 . . . . 0.0 110.03 -179.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.503 HD11 ' HB2' ' A' ' 74' ' ' GLU . 89.7 mt -93.22 -18.12 22.88 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -177.101 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.534 ' HB3' ' HE2' ' A' ' 72' ' ' MET . 31.8 t70 -122.09 153.83 38.16 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.543 -0.169 . . . . 0.0 110.543 -171.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -100.39 121.8 42.1 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 175.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -160.95 108.51 1.52 Allowed 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 113.086 0.772 . . . . 0.0 113.086 -167.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 67.44 -23.72 0.12 Allowed 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 163.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -169.07 -47.23 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 122.521 1.153 . . . . 0.0 110.053 -168.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.452 HG22 ' HG2' ' A' ' 30' ' ' MET . 20.5 mm -99.34 151.42 4.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.801 -175.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.8 m -114.9 159.72 20.36 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -175.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.56 132.07 45.66 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.81 -11.14 52.95 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.212 -177.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -70.13 150.92 46.03 Favored 'General case' 0 N--CA 1.442 -0.871 0 O-C-N 121.729 -0.865 . . . . 0.0 111.357 175.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -123.11 143.9 49.68 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -177.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.71 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -149.9 -177.05 23.57 Favored Glycine 0 C--N 1.311 -0.853 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 -176.187 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -130.5 145.68 51.9 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 117.199 0.499 . . . . 0.0 109.866 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -87.32 118.48 26.78 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 120.843 0.354 . . . . 0.0 110.55 -175.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.9 mtp180 -91.27 -56.67 3.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.014 177.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.414 HE21 ' HB2' ' A' ' 47' ' ' GLN . 0.0 OUTLIER 178.86 170.77 0.86 Allowed 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.754 -176.532 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.539 ' OG ' ' HA2' ' A' ' 51' ' ' GLY . 27.7 p -122.7 159.95 26.87 Favored 'General case' 0 C--N 1.314 -0.937 0 O-C-N 123.506 0.504 . . . . 0.0 110.613 178.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.464 ' C ' ' H ' ' A' ' 51' ' ' GLY . 32.1 m-80 -80.78 111.98 17.73 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 65.41 -9.22 0.24 Allowed 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 124.028 0.931 . . . . 0.0 112.59 -175.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.539 ' HA2' ' OG ' ' A' ' 48' ' ' SER . . . 92.26 26.07 19.59 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.101 -1.047 . . . . 0.0 111.528 176.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 1.016 ' HB ' ' HD2' ' A' ' 53' ' ' PRO . 4.3 m -118.66 -170.78 0.19 Allowed Pre-proline 0 C--N 1.316 -0.855 0 CA-C-N 117.424 0.612 . . . . 0.0 109.558 -178.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 1.016 ' HD2' ' HB ' ' A' ' 52' ' ' VAL . 6.8 Cg_exo -35.11 -50.68 0.79 Allowed 'Trans proline' 0 CA--C 1.56 1.778 0 C-N-CA 123.879 3.053 . . . . 0.0 115.278 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.545 ' HD2' HG23 ' A' ' 52' ' ' VAL . 13.9 Cg_endo -58.57 105.47 0.22 Allowed 'Trans proline' 0 C--N 1.365 1.428 0 C-N-CA 121.877 1.718 . . . . 0.0 112.569 175.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.575 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 6.9 p -122.04 136.42 58.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.098 -174.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -101.09 112.06 24.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.529 0.68 . . . . 0.0 110.463 -176.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.1 t -121.73 133.37 68.38 Favored 'Isoleucine or valine' 0 C--O 1.248 1.02 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.731 -176.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -97.59 129.98 44.66 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 174.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.536 ' CZ3' ' HB2' ' A' ' 30' ' ' MET . 95.1 m95 -98.61 120.72 39.52 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.682 -0.235 . . . . 0.0 110.912 -172.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.409 ' H ' ' HA2' ' A' ' 43' ' ' GLY . 6.5 mm-40 -61.0 -52.48 64.83 Favored 'General case' 0 C--N 1.313 -1.018 0 C-N-CA 123.422 0.689 . . . . 0.0 111.452 -179.077 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.0 p -64.23 -38.16 90.06 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.328 -0.851 . . . . 0.0 112.77 -176.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.5 m -88.24 -54.87 3.99 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 121.275 0.56 . . . . 0.0 111.051 -177.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.93 20.74 12.12 Favored Glycine 0 C--N 1.322 -0.199 0 CA-C-O 121.827 0.682 . . . . 0.0 112.463 176.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -131.86 144.27 50.76 Favored 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 122.336 -0.508 . . . . 0.0 109.704 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -80.38 142.3 34.53 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 110.474 -0.195 . . . . 0.0 110.474 175.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -148.94 147.24 28.4 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 123.318 0.386 . . . . 0.0 110.762 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.575 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 10.6 m0 -89.17 114.47 25.77 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 174.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.54 HG12 ' H ' ' A' ' 69' ' ' HIS . 0.8 OUTLIER -106.47 -156.7 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.366 -173.097 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.826 ' HB2' ' SD ' ' A' ' 72' ' ' MET . 52.6 m80 -138.75 132.71 31.15 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 -173.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.704 ' HD1' ' HA ' ' A' ' 53' ' ' PRO . 98.5 m95 -57.8 -39.01 76.54 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -174.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.48 ' HD2' ' HB3' ' A' ' 69' ' ' HIS . 3.1 p80 -62.77 -19.33 63.89 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -175.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.826 ' SD ' ' HB2' ' A' ' 69' ' ' HIS . 5.9 ptm -109.7 6.62 23.84 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-O 121.333 0.587 . . . . 0.0 112.21 -173.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.4 mt -103.22 130.71 50.52 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.086 -178.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.503 ' HB2' HD11 ' A' ' 31' ' ' LEU . 37.0 tt0 -101.2 131.74 47.04 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 175.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.612 ' CG2' HG23 ' A' ' 18' ' ' VAL . 39.5 pt -88.29 124.56 41.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 C-N-CA 119.909 -0.716 . . . . 0.0 111.297 -173.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.7 mt -104.13 -29.47 10.84 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 176.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.54 ' HA2' ' HB3' ' A' ' 26' ' ' MET . . . 61.29 -114.44 6.69 Favored Glycine 0 CA--C 1.501 -0.783 0 N-CA-C 110.373 -1.091 . . . . 0.0 110.373 -177.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -107.55 132.59 53.1 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 169.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -49.72 -30.54 9.49 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -172.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 . . . . . 0 C--N 1.318 -0.799 0 O-C-N 122.033 -0.417 . . . . 0.0 111.11 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.562 ' HG2' ' H ' ' A' ' 6' ' ' SER . 23.7 ttt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.417 ' O ' ' HD1' ' A' ' 8' ' ' PHE . 4.7 tmm_? -62.09 -28.82 69.89 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.796 0.807 . . . . 0.0 110.55 177.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.562 ' H ' ' HG2' ' A' ' 4' ' ' MET . 23.8 m -82.01 13.3 3.44 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -178.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -74.78 -9.22 58.35 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.65 -0.656 . . . . 0.0 111.08 175.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.417 ' HD1' ' O ' ' A' ' 5' ' ' ARG . 78.3 m-85 -76.63 179.9 5.71 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.522 177.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -49.49 -48.67 47.73 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -171.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.1 m -134.36 10.14 3.77 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.246 0.546 . . . . 0.0 110.094 176.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.451 ' HA2' ' HA ' ' A' ' 6' ' ' SER . . . 81.53 -52.74 4.6 Favored Glycine 0 C--O 1.223 -0.563 0 O-C-N 121.552 -0.717 . . . . 0.0 112.034 -177.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -70.04 -25.29 63.49 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 122.877 0.471 . . . . 0.0 110.454 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.1 m -53.26 -32.42 48.4 Favored 'General case' 0 C--O 1.244 0.815 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.24 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -62.88 -40.06 96.38 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-O 120.991 0.424 . . . . 0.0 110.408 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.497 ' HB2' ' HA ' ' A' ' 71' ' ' HIS . . . -63.35 -31.27 72.38 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 123.079 0.552 . . . . 0.0 110.694 178.447 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.7 tp -69.23 -43.27 74.36 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -59.99 -54.1 50.03 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.453 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.591 HG12 HG22 ' A' ' 75' ' ' ILE . 35.9 m -67.4 -49.4 71.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -178.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -57.96 -37.77 74.78 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -175.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -72.99 -33.23 65.68 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-O 120.71 0.291 . . . . 0.0 111.575 -178.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.4 m -100.51 -24.17 14.53 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -169.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.4 tp -65.55 103.91 0.92 Allowed 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.093 0.473 . . . . 0.0 110.939 -174.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -94.41 148.36 34.87 Favored Pre-proline 0 N--CA 1.445 -0.697 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.35 176.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -52.0 115.41 2.13 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 123.059 2.506 . . . . 0.0 111.252 174.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.6 -8.23 19.88 Favored Glycine 0 C--N 1.334 0.427 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -178.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 61.4 mtt -84.42 136.08 34.0 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.478 0.656 . . . . 0.0 111.16 174.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.7 mtt180 -68.89 160.55 30.48 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 122.114 0.959 . . . . 0.0 110.813 174.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.2 m -134.66 150.97 30.76 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.155 0 CA-C-N 114.787 -1.097 . . . . 0.0 109.835 177.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.473 ' HB3' ' HB3' ' A' ' 74' ' ' GLU . 40.4 ttt180 -124.66 127.48 47.38 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.945 177.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.556 ' HG2' HG22 ' A' ' 37' ' ' ILE . 13.4 tpt -77.93 122.45 25.52 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.467 HD11 ' HB2' ' A' ' 74' ' ' GLU . 83.2 mt -110.12 -4.17 15.97 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-O 121.268 0.556 . . . . 0.0 112.197 -178.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.403 ' HB3' ' HB2' ' A' ' 72' ' ' MET . 2.1 t70 -121.9 -176.74 3.4 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.853 -177.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -121.02 121.62 38.35 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.327 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -150.7 104.52 3.2 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.318 0.58 . . . . 0.0 111.425 -175.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 55.84 -112.25 0.69 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.363 174.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -81.51 -14.74 56.59 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.762 -175.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.556 HG22 ' HG2' ' A' ' 30' ' ' MET . 10.5 mm -104.33 149.79 7.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.2 t -143.5 169.48 17.62 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 -177.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.37 131.36 50.54 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 121.349 0.595 . . . . 0.0 112.254 -173.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.93 -16.23 43.32 Favored Glycine 0 C--N 1.313 -0.727 0 CA-C-N 114.929 -1.032 . . . . 0.0 112.712 174.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -66.51 148.11 52.34 Favored 'General case' 0 C--O 1.248 0.985 0 CA-C-N 117.127 0.463 . . . . 0.0 110.145 178.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -127.58 147.91 50.35 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 120.9 0.381 . . . . 0.0 110.328 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -148.42 174.55 28.06 Favored Glycine 0 N--CA 1.433 -1.508 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.879 -177.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -105.41 140.29 38.74 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 177.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.529 ' HE1' ' HB3' ' A' ' 48' ' ' SER . 68.9 t80 -95.87 117.49 30.68 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 122.054 -0.404 . . . . 0.0 110.396 -178.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -105.98 -47.14 3.93 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.977 -176.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.408 ' HG3' ' HB3' ' A' ' 56' ' ' GLN . 19.3 pt20 -158.84 156.62 29.99 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.489 -178.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.61 ' HB3' HG23 ' A' ' 55' ' ' VAL . 72.4 p -141.11 170.81 15.02 Favored 'General case' 0 C--N 1.312 -1.033 0 O-C-N 122.051 -0.405 . . . . 0.0 110.781 177.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -91.13 109.53 20.79 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 170.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -76.15 31.48 0.12 Allowed 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -173.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -164.09 -31.62 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 111.871 -0.492 . . . . 0.0 111.871 -178.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.701 HG12 ' HD2' ' A' ' 54' ' ' PRO . 2.2 t -105.86 143.9 27.81 Favored Pre-proline 0 N--CA 1.469 0.516 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 176.145 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.565 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 51.0 Cg_exo -46.46 -40.94 23.35 Favored 'Trans proline' 0 CA--C 1.545 1.058 0 C-N-CA 123.781 2.987 . . . . 0.0 116.489 -179.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.701 ' HD2' HG12 ' A' ' 52' ' ' VAL . 9.6 Cg_endo -53.91 130.85 41.3 Favored 'Trans proline' 0 C--N 1.368 1.576 0 C-N-CA 122.609 2.206 . . . . 0.0 113.562 -177.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.61 HG23 ' HB3' ' A' ' 48' ' ' SER . 6.4 p -127.94 137.59 57.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 114.338 -1.301 . . . . 0.0 109.456 178.355 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.408 ' HB3' ' HG3' ' A' ' 47' ' ' GLN . 5.6 tp-100 -94.74 108.22 20.22 Favored 'General case' 0 N--CA 1.441 -0.893 0 O-C-N 121.599 -0.688 . . . . 0.0 110.43 -174.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.1 t -121.53 137.21 55.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.04 -177.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.449 ' HD2' HG23 ' A' ' 65' ' ' THR . 41.7 t80 -92.54 109.88 21.29 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 173.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.469 ' HZ2' HG21 ' A' ' 68' ' ' VAL . 99.2 m95 -80.38 114.0 18.96 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.473 -176.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -58.99 -47.17 86.16 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.021 0.825 . . . . 0.0 110.558 -177.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 m -57.23 -40.43 77.55 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.876 -176.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.8 m -87.83 -46.22 9.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.869 0.842 . . . . 0.0 111.515 -177.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.19 20.05 24.26 Favored Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.814 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -135.37 160.94 36.86 Favored 'General case' 0 C--O 1.238 0.481 0 O-C-N 121.969 -0.724 . . . . 0.0 110.605 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.449 HG23 ' HD2' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -88.8 144.11 26.45 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.302 0.572 . . . . 0.0 110.36 173.75 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -149.53 145.1 26.67 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.142 -173.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.578 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 16.9 m-90 -92.41 116.17 28.74 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 177.067 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.474 ' O ' HG12 ' A' ' 55' ' ' VAL . 2.0 t -111.29 175.34 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.672 -179.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.616 ' O ' ' HG2' ' A' ' 72' ' ' MET . 34.9 m-70 -100.02 137.59 38.26 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.849 -0.532 . . . . 0.0 110.139 173.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -47.26 -48.81 24.5 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -178.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.497 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . 23.8 p80 -65.21 -4.79 5.57 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 -169.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.616 ' HG2' ' O ' ' A' ' 69' ' ' HIS . 17.1 ptp -113.56 5.7 16.71 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 118.645 0.657 . . . . 0.0 112.242 -178.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.413 HD21 HG11 ' A' ' 68' ' ' VAL . 91.4 mt -111.55 141.03 45.65 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.582 0.706 . . . . 0.0 111.514 -177.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.473 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . 40.1 tt0 -102.41 139.87 37.44 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.223 174.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.591 HG22 HG12 ' A' ' 18' ' ' VAL . 5.6 tt -81.75 122.05 36.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 179.141 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.1 tt -114.15 78.34 1.14 Allowed 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -86.91 161.62 33.39 Favored Glycine 0 N--CA 1.44 -1.092 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.253 -177.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -112.09 20.83 16.5 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 177.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -88.75 98.48 11.73 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.081 -176.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 . . . . . 0 CA--C 1.532 0.257 0 CA-C-N 114.79 -1.096 . . . . 0.0 110.95 179.655 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.579 ' HG3' ' H ' ' A' ' 6' ' ' SER . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.225 0 N-CA-C 111.352 0.13 . . . . 0.0 111.352 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.591 ' HD2' ' O ' ' A' ' 71' ' ' HIS . 32.4 mtm-85 -62.88 -27.63 69.49 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 123.726 0.641 . . . . 0.0 110.997 179.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.579 ' H ' ' HG3' ' A' ' 4' ' ' MET . 10.2 m -67.93 -2.05 6.78 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 178.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.493 ' HG3' ' HB3' ' A' ' 4' ' ' MET . 42.6 mt-10 -77.01 -3.31 38.38 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 122.275 -0.265 . . . . 0.0 111.65 -176.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.457 ' HB3' ' HB ' ' A' ' 13' ' ' THR . 42.4 m-85 -67.98 176.34 2.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.887 0.375 . . . . 0.0 110.709 176.325 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.05 -46.78 61.79 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.977 -175.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.4 m -123.64 9.19 8.93 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.311 0.577 . . . . 0.0 111.438 178.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.74 -61.65 2.86 Favored Glycine 0 CA--C 1.522 0.471 0 C-N-CA 120.316 -0.945 . . . . 0.0 112.063 -176.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -57.74 -20.78 37.14 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 124.293 0.643 . . . . 0.0 110.549 175.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.457 ' HB ' ' HB3' ' A' ' 8' ' ' PHE . 21.6 m -49.24 -33.72 13.34 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.788 0.835 . . . . 0.0 111.617 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -69.82 -52.51 24.42 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.403 178.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.574 ' O ' ' HG3' ' A' ' 19' ' ' ARG . . . -59.49 -28.99 67.52 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.214 0.531 . . . . 0.0 111.609 177.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.4 tp -73.18 -43.62 61.13 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.941 0.877 . . . . 0.0 109.62 175.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -59.97 -44.61 94.35 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.38 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.456 HG22 ' HA ' ' A' ' 15' ' ' ALA . 32.9 m -61.93 -44.05 98.35 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.935 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.574 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 69.9 mtp180 -62.19 -30.29 70.97 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.042 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -63.34 -52.66 60.89 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.018 -177.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.516 ' HB ' HD12 ' A' ' 75' ' ' ILE . 9.1 m -92.58 -33.02 14.6 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.891 -174.123 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.596 HD23 HG22 ' A' ' 75' ' ' ILE . 0.3 OUTLIER -78.71 100.49 7.09 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 121.288 0.566 . . . . 0.0 110.6 -175.235 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.458 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 13.2 pt20 -104.3 169.37 7.32 Favored Pre-proline 0 C--N 1.313 -0.996 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.775 178.392 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.458 ' HD2' ' HB2' ' A' ' 23' ' ' GLN . 50.1 Cg_exo -54.39 128.54 30.5 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.302 2.001 . . . . 0.0 111.674 174.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.97 -10.66 70.08 Favored Glycine 0 CA--C 1.508 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.336 -178.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.627 ' SD ' ' HA2' ' A' ' 77' ' ' GLY . 49.5 tpp -80.65 138.48 36.4 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 121.425 0.631 . . . . 0.0 110.224 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.3 ttp85 -81.6 142.19 33.01 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.05 -177.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.453 HG12 HD21 ' A' ' 22' ' ' LEU . 28.4 m -124.75 160.74 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-O 121.655 0.741 . . . . 0.0 110.715 -175.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.926 ' HB2' HD21 ' A' ' 76' ' ' LEU . 14.8 ttt180 -125.92 135.07 51.46 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.424 174.205 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.479 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 12.7 tpt -79.71 121.44 25.34 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.834 -0.166 . . . . 0.0 110.669 -178.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.455 HD21 ' HB2' ' A' ' 74' ' ' GLU . 87.9 mt -84.37 -22.04 30.65 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -136.06 160.73 37.75 Favored 'General case' 0 C--O 1.215 -0.733 0 C-N-CA 120.097 -0.641 . . . . 0.0 110.674 -170.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.427 ' HA ' ' HA ' ' A' ' 38' ' ' SER . 11.6 t70 -91.33 129.22 37.34 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 176.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -153.96 98.88 2.21 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 -171.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 63.43 -12.3 0.09 Allowed 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 115.321 1.6 . . . . 0.0 115.321 167.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -177.17 -40.32 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.275 0 O-C-N 121.585 -0.697 . . . . 0.0 109.832 -174.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.443 HG22 ' HG2' ' A' ' 30' ' ' MET . 31.0 mm -98.15 150.19 4.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -177.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.427 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 70.5 m -122.74 162.76 21.42 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.357 -177.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.16 128.27 35.32 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.502 177.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.26 -18.1 39.55 Favored Glycine 0 CA--C 1.503 -0.671 0 C-N-CA 120.382 -0.914 . . . . 0.0 112.814 -179.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -66.99 141.93 57.42 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -119.53 149.77 41.36 Favored 'General case' 0 N--CA 1.444 -0.76 0 O-C-N 123.705 0.628 . . . . 0.0 110.631 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -158.85 -171.95 25.33 Favored Glycine 0 N--CA 1.439 -1.146 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -177.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -122.45 146.49 47.32 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.6 ' HE1' ' HB3' ' A' ' 48' ' ' SER . 61.5 t80 -92.31 124.1 36.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.838 178.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 46' ' ' ARG . 51.1 mtp180 -106.71 -55.63 2.3 Favored 'General case' 0 C--N 1.315 -0.931 0 O-C-N 123.709 0.631 . . . . 0.0 112.102 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -149.5 148.56 29.55 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-O 121.252 0.549 . . . . 0.0 110.742 -172.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.6 ' HB3' ' HE1' ' A' ' 45' ' ' PHE . 28.5 p -140.12 171.7 13.81 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.65 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -90.08 145.04 25.36 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 170.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -72.69 -18.73 61.52 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -168.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -147.24 5.5 1.04 Allowed Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 119.25 -1.452 . . . . 0.0 115.059 -174.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.526 ' HB ' ' HD2' ' A' ' 53' ' ' PRO . 16.3 m -125.98 163.35 40.11 Favored Pre-proline 0 CA--C 1.534 0.356 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.642 179.175 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.573 ' HA ' ' HD1' ' A' ' 70' ' ' TRP . 41.2 Cg_exo -52.19 -45.49 38.9 Favored 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 124.156 3.237 . . . . 0.0 115.979 -178.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.444 ' HD2' HG23 ' A' ' 52' ' ' VAL . 83.8 Cg_exo -47.79 116.38 1.87 Allowed 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.789 2.326 . . . . 0.0 114.012 -176.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.56 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 5.6 p -130.14 133.92 63.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 123.771 0.669 . . . . 0.0 109.842 178.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -98.05 111.7 23.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.22 0.534 . . . . 0.0 110.16 -173.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.5 t -120.68 139.03 49.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.697 -176.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -91.21 114.03 26.45 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 174.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.479 ' CH2' ' HB2' ' A' ' 30' ' ' MET . 96.3 m95 -95.55 117.87 31.22 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.679 -178.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -76.56 -37.25 56.9 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.577 -171.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.18 -32.34 73.98 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.931 -175.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.2 p -95.51 -46.76 6.53 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.394 175.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 104.08 20.83 10.05 Favored Glycine 0 C--O 1.225 -0.426 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.703 176.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -129.69 148.48 51.58 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 117.053 0.427 . . . . 0.0 111.094 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.8 p -79.2 137.83 37.59 Favored 'General case' 0 C--O 1.249 1.028 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.48 171.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -144.99 141.34 28.86 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-O 120.463 0.173 . . . . 0.0 111.165 -174.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.56 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 27.9 m-90 -90.0 115.45 27.3 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 178.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.613 HG12 ' H ' ' A' ' 69' ' ' HIS . 1.3 t -106.38 -154.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 123.4 0.68 . . . . 0.0 109.476 -176.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.713 ' HB2' ' HG3' ' A' ' 72' ' ' MET . 46.2 m-70 -136.46 133.9 37.08 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 105.448 -2.056 . . . . 0.0 105.448 -176.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.573 ' HD1' ' HA ' ' A' ' 53' ' ' PRO . 97.6 m95 -43.55 -51.85 6.56 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -176.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.591 ' O ' ' HD2' ' A' ' 5' ' ' ARG . 1.8 p-80 -76.75 1.21 17.88 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -174.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.713 ' HG3' ' HB2' ' A' ' 69' ' ' HIS . 53.6 mtp -95.63 -8.05 35.94 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.557 -0.715 . . . . 0.0 109.67 177.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.1 mt -101.07 136.92 40.15 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.554 -175.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.455 ' HB2' HD21 ' A' ' 31' ' ' LEU . 43.9 tt0 -108.13 138.24 44.73 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 173.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.596 HG22 HD23 ' A' ' 22' ' ' LEU . 36.8 pt -98.27 130.61 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.898 0 CA-C-O 121.075 0.464 . . . . 0.0 111.309 -174.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.926 HD21 ' HB2' ' A' ' 29' ' ' ARG . 2.6 mm? -96.14 -73.59 0.59 Allowed 'General case' 0 C--O 1.24 0.562 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 172.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.627 ' HA2' ' SD ' ' A' ' 26' ' ' MET . . . 118.4 117.03 2.74 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 111.767 -0.533 . . . . 0.0 111.767 -179.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -63.02 -30.33 71.52 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-O 121.781 0.8 . . . . 0.0 110.076 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -97.79 1.09 47.95 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.673 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.446 ' HB2' ' HA3' ' A' ' 77' ' ' GLY . 1.6 tm-20 . . . . . 0 C--N 1.324 -0.509 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.639 ' HB2' ' HB2' ' A' ' 7' ' ' GLU . 5.1 mpp? . . . . . 0 N--CA 1.473 0.706 0 CA-C-O 121.814 0.816 . . . . 0.0 111.306 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.688 ' HD3' ' H ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -57.87 -43.84 86.23 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.439 178.866 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.434 ' HA ' ' HA2' ' A' ' 11' ' ' GLY . 65.1 m -91.77 11.72 23.74 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 123.221 0.326 . . . . 0.0 111.295 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.639 ' HB2' ' HB2' ' A' ' 4' ' ' MET . 36.7 tt0 -79.12 -21.42 46.61 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 174.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.444 ' CE1' ' HD1' ' A' ' 14' ' ' TYR . 55.3 m-85 -67.61 178.91 1.49 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.966 175.167 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.62 -47.16 73.76 Favored 'General case' 0 C--O 1.241 0.635 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -176.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.9 t -128.19 -1.21 5.76 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -177.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.562 ' HA2' ' O ' ' A' ' 5' ' ' ARG . . . 85.36 -45.45 3.5 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.535 -0.84 . . . . 0.0 111.908 -176.178 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -56.4 -25.07 48.75 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 114.872 -0.664 . . . . 0.0 110.676 174.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.614 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -59.95 -31.63 70.04 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.932 0.872 . . . . 0.0 111.503 179.6 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.444 ' HD1' ' CE1' ' A' ' 8' ' ' PHE . 77.8 t80 -69.94 -37.5 75.89 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.087 177.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.536 ' HB1' ' HB2' ' A' ' 70' ' ' TRP . . . -62.63 -38.84 91.8 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 123.497 0.719 . . . . 0.0 111.231 177.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' ' 13' ' ' THR . 3.7 pp -74.74 -28.71 60.89 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-O 121.67 0.747 . . . . 0.0 110.244 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -64.47 -53.77 43.07 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.132 176.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.4 m -69.44 -31.75 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.902 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.273 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 47.0 ttp180 -50.4 -54.13 24.15 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 122.925 0.49 . . . . 0.0 110.751 176.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -75.77 -11.97 60.09 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.572 -175.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.5 m -99.09 -16.88 18.48 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 121.524 0.678 . . . . 0.0 110.457 -179.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.532 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 26.0 tp -85.72 105.96 16.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.161 -176.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -92.35 149.41 38.33 Favored Pre-proline 0 C--O 1.238 0.485 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.081 177.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -55.99 126.08 21.2 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.775 2.317 . . . . 0.0 112.23 175.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.57 -19.08 24.37 Favored Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 120.533 -0.842 . . . . 0.0 111.359 -176.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.426 ' HB3' ' HA2' ' A' ' 77' ' ' GLY . 50.7 mtt -75.92 135.68 40.1 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.539 0.685 . . . . 0.0 110.502 178.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.7 ttm-85 -82.71 144.38 30.27 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.782 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.458 ' CG2' HD11 ' A' ' 73' ' ' LEU . 27.0 m -128.69 160.09 39.63 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.479 0 CA-C-N 115.573 -0.74 . . . . 0.0 112.193 -175.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.547 ' HE ' ' HG2' ' A' ' 42' ' ' GLU . 20.7 tpp85 -121.03 133.68 55.26 Favored 'General case' 0 C--N 1.31 -1.129 0 O-C-N 124.476 1.11 . . . . 0.0 110.214 179.236 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.474 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 14.4 tpt -84.87 122.66 29.48 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.612 0.72 . . . . 0.0 110.15 176.52 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.7 mp -100.8 2.28 41.01 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.685 -175.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -144.97 156.25 43.85 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 118.081 0.4 . . . . 0.0 111.037 -176.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -91.06 122.25 33.56 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 177.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -144.92 97.28 2.99 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 123.563 0.54 . . . . 0.0 110.684 -169.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 58.05 -114.69 0.79 Allowed 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.279 0.562 . . . . 0.0 111.946 -177.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -75.79 -23.08 55.85 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.615 -174.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.47 HG22 ' HG2' ' A' ' 30' ' ' MET . 35.0 mm -95.28 147.32 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.856 -176.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.3 p -122.97 164.92 17.61 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.103 0.478 . . . . 0.0 109.907 -177.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.39 133.16 48.25 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.959 177.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.24 -15.12 57.98 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.586 -177.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -62.14 145.46 53.32 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.547 ' HG2' ' HE ' ' A' ' 29' ' ' ARG . 43.8 mt-10 -125.73 146.36 49.79 Favored 'General case' 0 CA--C 1.51 -0.562 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.412 ' HA2' ' HG3' ' A' ' 60' ' ' GLU . . . -153.46 -178.01 27.56 Favored Glycine 0 C--N 1.313 -0.698 0 C-N-CA 120.329 -0.939 . . . . 0.0 112.22 -177.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -116.58 141.03 48.72 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 115.161 -0.52 . . . . 0.0 109.644 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.532 ' CD2' ' HG ' ' A' ' 22' ' ' LEU . 60.7 t80 -93.09 124.63 37.2 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 -178.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -116.6 -43.29 2.92 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -176.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -145.09 148.87 34.13 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 119.382 -0.927 . . . . 0.0 112.158 -177.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.3 p -130.66 146.85 52.25 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.611 173.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.601 ' O ' HG22 ' A' ' 52' ' ' VAL . 13.9 m120 -106.43 105.49 15.55 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -177.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.3 m120 68.18 -51.41 0.54 Allowed 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 169.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 140.24 44.0 0.07 OUTLIER Glycine 0 C--N 1.304 -1.198 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 -169.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.601 HG22 ' O ' ' A' ' 49' ' ' ASN . 28.9 m -116.05 163.22 22.2 Favored Pre-proline 0 N--CA 1.448 -0.566 0 CA-C-N 115.13 -0.535 . . . . 0.0 110.713 -173.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.525 ' HD2' ' HB ' ' A' ' 52' ' ' VAL . 32.2 Cg_exo -52.58 -47.07 29.11 Favored 'Trans proline' 0 N--CA 1.478 0.592 0 C-N-CA 123.099 2.533 . . . . 0.0 114.62 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 31.5 Cg_endo -65.28 135.17 41.98 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 121.454 1.436 . . . . 0.0 112.663 177.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.634 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 7.5 p -130.35 140.02 49.88 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.891 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.995 178.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.547 ' OE1' ' HB ' ' A' ' 65' ' ' THR . 5.9 tp-100 -93.49 109.05 20.65 Favored 'General case' 0 C--O 1.247 0.923 0 O-C-N 123.243 0.34 . . . . 0.0 110.58 -178.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.2 t -124.88 134.71 66.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.838 -177.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -88.71 103.93 16.41 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.469 175.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.476 ' CD1' ' HB3' ' A' ' 66' ' ' TYR . 98.9 m95 -83.32 117.55 23.07 Favored 'General case' 0 C--N 1.311 -1.08 0 O-C-N 123.668 0.605 . . . . 0.0 111.016 -175.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.412 ' HG3' ' HA2' ' A' ' 43' ' ' GLY . 43.8 mt-10 -69.29 -34.7 75.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.065 -172.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 m -64.56 -40.1 94.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.696 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.3 p -87.76 -36.52 17.27 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.228 0.537 . . . . 0.0 110.547 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.16 26.07 29.59 Favored Glycine 0 N--CA 1.46 0.269 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.086 178.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -147.2 165.13 30.96 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 121.257 -0.177 . . . . 0.0 110.846 -178.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.547 ' HB ' ' OE1' ' A' ' 56' ' ' GLN . 16.5 p -86.23 141.97 28.92 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 123.244 0.34 . . . . 0.0 111.576 179.252 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.476 ' HB3' ' CD1' ' A' ' 59' ' ' TRP . 72.3 t80 -146.26 143.73 29.38 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.921 -176.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.634 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 9.9 m-90 -93.63 116.17 28.66 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.927 0.767 . . . . 0.0 109.409 176.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.44 HG21 ' HZ2' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -114.93 -178.51 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -175.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.602 ' O ' ' HG2' ' A' ' 72' ' ' MET . 30.0 m-70 -109.2 136.12 49.2 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.068 174.384 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.536 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . 89.3 m95 -52.05 -43.0 63.57 Favored 'General case' 0 C--O 1.223 -0.316 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -174.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -71.83 -4.98 31.05 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -169.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.602 ' HG2' ' O ' ' A' ' 69' ' ' HIS . 20.9 ptp -111.31 9.44 21.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.907 0.86 . . . . 0.0 109.714 176.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.458 HD11 ' CG2' ' A' ' 28' ' ' VAL . 51.5 tp -118.37 135.46 54.31 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.138 -175.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -111.74 142.96 43.42 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-O 121.762 0.791 . . . . 0.0 110.704 179.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.0 tt -98.3 124.7 51.55 Favored 'Isoleucine or valine' 0 C--O 1.245 0.852 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.653 -174.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.6 mp -107.51 -37.15 6.27 Favored 'General case' 0 CA--C 1.508 -0.653 0 C-N-CA 122.806 0.442 . . . . 0.0 110.777 177.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.426 ' HA2' ' HB3' ' A' ' 26' ' ' MET . . . 88.03 -152.43 23.72 Favored Glycine 0 N--CA 1.437 -1.238 0 N-CA-C 111.717 -0.553 . . . . 0.0 111.717 179.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -136.99 95.02 3.03 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 121.912 0.863 . . . . 0.0 110.603 172.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -95.7 -56.51 2.66 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 114.588 -1.187 . . . . 0.0 108.867 176.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 . . . . . 0 C--N 1.322 -0.624 0 CA-C-N 114.983 -1.008 . . . . 0.0 108.467 172.765 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.712 ' HG2' ' HB3' ' A' ' 7' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 121.336 0.589 . . . . 0.0 111.015 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.6 -34.54 78.12 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.084 -176.251 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.6 p -82.31 12.37 4.47 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.94 -173.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.712 ' HB3' ' HG2' ' A' ' 4' ' ' MET . 10.3 pt-20 -70.53 -18.82 62.94 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 117.968 0.349 . . . . 0.0 111.438 -178.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -60.79 157.37 15.08 Favored 'General case' 0 C--O 1.242 0.683 0 O-C-N 123.709 0.63 . . . . 0.0 110.607 179.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.33 92.4 Favored 'General case' 0 C--O 1.241 0.616 0 O-C-N 123.332 0.395 . . . . 0.0 110.939 -173.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.6 m -98.82 -8.57 25.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.116 0.484 . . . . 0.0 110.689 177.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.32 -56.46 1.96 Allowed Glycine 0 C--N 1.341 0.85 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.41 -175.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -58.07 -25.41 61.23 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 123.854 0.861 . . . . 0.0 111.492 178.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.5 m -52.13 -29.74 23.34 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 123.004 0.521 . . . . 0.0 111.417 178.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -61.24 -54.52 43.1 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 175.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.546 ' HB1' ' HB2' ' A' ' 70' ' ' TRP . . . -61.07 -30.59 70.42 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.925 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.2 tp -73.51 -41.48 63.02 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.452 0.644 . . . . 0.0 110.575 -178.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -66.74 -51.47 55.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.769 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.2 m -58.95 -41.74 83.99 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -178.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.47 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 7.0 ptm180 -71.88 -20.59 61.78 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-O 120.744 0.307 . . . . 0.0 111.611 -179.118 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -75.58 -35.89 60.48 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.819 178.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 m -82.51 -34.41 27.94 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 120.676 0.274 . . . . 0.0 110.279 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.68 ' HA ' ' SD ' ' A' ' 26' ' ' MET . 38.7 tp -71.79 96.67 1.67 Allowed 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.114 -177.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.415 ' O ' ' HB2' ' A' ' 26' ' ' MET . 18.4 mt-30 -86.48 162.36 45.64 Favored Pre-proline 0 N--CA 1.448 -0.565 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.788 178.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.423 ' HA ' ' CD2' ' A' ' 45' ' ' PHE . 35.8 Cg_exo -57.84 124.52 16.19 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.909 2.406 . . . . 0.0 111.647 176.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.08 -5.46 61.34 Favored Glycine 0 CA--C 1.508 -0.351 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.628 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.68 ' SD ' ' HA ' ' A' ' 22' ' ' LEU . 8.6 ttt -74.91 134.45 41.59 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.416 0.627 . . . . 0.0 109.949 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.598 ' HG3' ' O ' ' A' ' 43' ' ' GLY . 35.1 ttm180 -76.16 141.73 41.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.894 178.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.485 HG21 HG11 ' A' ' 57' ' ' VAL . 34.7 m -119.84 161.78 18.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.087 -173.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -121.42 122.58 40.11 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.127 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.533 ' HG2' HG22 ' A' ' 37' ' ' ILE . 10.6 tpt -74.51 108.73 7.46 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-O 122.084 0.945 . . . . 0.0 109.206 176.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 31' ' ' LEU . 0.6 OUTLIER -89.01 -28.22 20.33 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.458 -1.246 . . . . 0.0 111.434 -171.291 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.542 ' HB3' ' HB2' ' A' ' 72' ' ' MET . 18.8 t70 -135.7 138.73 43.06 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -178.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -75.88 145.79 40.25 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.258 0.552 . . . . 0.0 110.438 -173.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.685 ' HB2' ' HE1' ' A' ' 72' ' ' MET . 17.8 t80 -155.69 108.96 2.74 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.876 -176.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 54.29 -110.64 0.57 Allowed 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 114.855 -1.066 . . . . 0.0 112.648 176.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -72.47 -28.4 62.89 Favored 'General case' 0 CA--C 1.505 -0.765 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -178.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.533 HG22 ' HG2' ' A' ' 30' ' ' MET . 20.9 mm -98.69 147.59 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 CA-C-O 121.192 0.52 . . . . 0.0 109.697 -174.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 71.2 m -126.05 166.03 17.74 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -177.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.36 137.77 54.86 Favored 'General case' 0 N--CA 1.438 -1.042 0 O-C-N 122.157 -0.339 . . . . 0.0 110.745 -176.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.5 -14.89 57.78 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 121.237 -0.506 . . . . 0.0 112.754 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.461 ' CG ' ' HB3' ' A' ' 61' ' ' SER . 3.7 t70 -68.53 142.1 55.34 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 177.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -118.18 147.83 42.97 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 -178.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.598 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -159.11 -171.76 25.33 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.301 -0.952 . . . . 0.0 111.98 -176.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -125.19 144.14 50.59 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -178.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.423 ' CD2' ' HA ' ' A' ' 24' ' ' PRO . 49.5 t80 -86.59 118.13 25.81 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.442 -175.345 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.464 HH11 ' HD3' ' A' ' 46' ' ' ARG . 23.9 mmt-85 -85.25 -55.75 3.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.842 -0.163 . . . . 0.0 111.388 -178.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.72 170.8 1.93 Allowed 'General case' 0 CA--C 1.541 0.605 0 O-C-N 123.503 0.502 . . . . 0.0 110.731 -173.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.4 p -141.22 171.93 13.38 Favored 'General case' 0 C--N 1.309 -1.155 0 O-C-N 123.945 0.778 . . . . 0.0 109.325 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.471 ' O ' HG22 ' A' ' 52' ' ' VAL . 45.2 m-80 -114.53 105.07 12.66 Favored 'General case' 0 N--CA 1.443 -0.815 0 O-C-N 121.596 -0.69 . . . . 0.0 111.313 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 55.41 -92.6 0.03 OUTLIER 'General case' 0 C--O 1.238 0.475 0 C-N-CA 123.995 0.918 . . . . 0.0 111.521 175.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -149.62 38.33 0.94 Allowed Glycine 0 N--CA 1.435 -1.368 0 C-N-CA 121.024 -0.607 . . . . 0.0 112.057 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 49' ' ' ASN . 32.9 m -91.8 153.12 43.67 Favored Pre-proline 0 C--O 1.232 0.139 0 O-C-N 122.387 -0.478 . . . . 0.0 111.055 -178.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.506 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 26.1 Cg_exo -56.22 -45.97 34.08 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.679 2.253 . . . . 0.0 114.587 175.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 29.5 Cg_endo -62.56 130.94 31.59 Favored 'Trans proline' 0 C--N 1.368 1.601 0 C-N-CA 121.445 1.43 . . . . 0.0 113.048 178.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.728 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 4.6 p -130.38 139.89 50.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.195 -178.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -95.4 108.55 20.76 Favored 'General case' 0 N--CA 1.434 -1.247 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.524 -177.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.485 HG11 HG21 ' A' ' 28' ' ' VAL . 70.5 t -124.29 138.46 53.77 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 -175.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -97.96 123.28 41.89 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 176.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -95.14 112.87 24.52 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 -176.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.444 ' HG3' ' HA2' ' A' ' 43' ' ' GLY . 41.3 mt-10 -76.13 -17.59 59.52 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 124.1 0.875 . . . . 0.0 111.256 -169.523 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.461 ' HB3' ' CG ' ' A' ' 41' ' ' ASP . 25.9 t -79.89 -26.38 40.27 Favored 'General case' 0 N--CA 1.447 -0.621 0 O-C-N 123.556 0.535 . . . . 0.0 109.845 -178.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.1 p -105.27 -49.41 3.46 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-O 121.096 0.474 . . . . 0.0 111.353 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.58 16.21 14.99 Favored Glycine 0 CA--C 1.508 -0.389 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -173.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -114.16 139.86 49.0 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.488 -0.19 . . . . 0.0 110.488 -178.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.25 139.52 30.41 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 166.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -151.91 148.48 27.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.687 -175.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.728 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -93.12 116.21 28.82 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 121.418 0.627 . . . . 0.0 109.816 179.219 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.488 HG12 ' H ' ' A' ' 69' ' ' HIS . 3.5 t -109.21 176.29 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 -176.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.529 ' O ' ' HG2' ' A' ' 72' ' ' MET . 21.7 m-70 -107.82 136.79 46.96 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 121.197 -0.201 . . . . 0.0 110.912 172.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.573 ' HZ3' HD23 ' A' ' 22' ' ' LEU . 85.3 m95 -54.4 -35.55 62.99 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -172.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -79.24 2.76 20.06 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -171.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.685 ' HE1' ' HB2' ' A' ' 34' ' ' TYR . 22.3 ptm -122.0 14.44 10.68 Favored 'General case' 0 C--O 1.241 0.657 0 C-N-CA 120.303 -0.559 . . . . 0.0 111.247 177.128 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 70' ' ' TRP . 4.0 pp -118.7 149.33 41.61 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.532 0.682 . . . . 0.0 111.653 177.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.49 140.24 38.89 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.414 175.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.413 HD11 ' CE ' ' A' ' 26' ' ' MET . 0.0 OUTLIER -94.75 119.4 42.72 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 C-N-CA 122.676 0.39 . . . . 0.0 110.826 -177.578 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.6 mt -95.75 -82.24 0.39 Allowed 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 178.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.449 ' HA2' ' CG ' ' A' ' 26' ' ' MET . . . 147.82 -164.23 28.84 Favored Glycine 0 N--CA 1.441 -0.99 0 C-N-CA 121.149 -0.548 . . . . 0.0 111.88 179.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.68 ' HD1' ' HG3' ' A' ' 26' ' ' MET . 15.8 p90 -152.43 43.35 0.67 Allowed 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 175.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -80.51 51.86 1.54 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 113.948 -1.478 . . . . 0.0 110.444 -170.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 . . . . . 0 N--CA 1.449 -0.491 0 C-N-CA 123.408 0.683 . . . . 0.0 111.779 -179.659 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.589 ' HG3' ' H ' ' A' ' 6' ' ' SER . 27.2 ptm . . . . . 0 CA--C 1.531 0.246 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -60.45 -29.67 69.17 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.864 0.364 . . . . 0.0 110.935 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.624 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 4.9 m -75.23 12.89 0.81 Allowed 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.575 -177.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -68.8 -8.03 39.6 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.6 m-30 -73.24 -170.33 0.76 Allowed 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 175.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.27 -46.43 65.86 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.205 0.526 . . . . 0.0 111.558 -177.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.6 t -130.36 -10.64 4.12 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.402 171.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.624 ' HA3' ' HA ' ' A' ' 6' ' ' SER . . . 86.02 -12.92 58.75 Favored Glycine 0 C--N 1.336 0.564 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 -175.169 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -69.93 -24.15 63.32 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 123.013 0.525 . . . . 0.0 111.719 -176.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.9 m -50.86 -35.41 32.49 Favored 'General case' 0 N--CA 1.439 -1.017 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -176.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -58.02 -54.61 45.03 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.897 0.856 . . . . 0.0 109.667 175.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.554 ' O ' ' HG3' ' A' ' 19' ' ' ARG . . . -61.56 -32.32 72.4 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 113.754 -1.566 . . . . 0.0 111.833 -178.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 19' ' ' ARG . 45.9 tp -73.86 -48.68 29.4 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.232 178.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -60.45 -53.89 52.12 Favored 'General case' 0 CA--C 1.514 -0.418 0 O-C-N 123.352 0.408 . . . . 0.0 110.975 -177.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.419 ' HB ' HD23 ' A' ' 22' ' ' LEU . 35.7 m -54.53 -29.48 20.46 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.668 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -177.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.554 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 56.4 mtp180 -55.23 -37.76 67.61 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 177.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.1 -24.98 62.41 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -175.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.3 m -103.79 -17.72 14.95 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 122.35 -0.219 . . . . 0.0 110.974 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.495 HD22 HD12 ' A' ' 75' ' ' ILE . 0.9 OUTLIER -77.49 66.08 3.15 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.666 ' HG2' ' HE2' ' A' ' 26' ' ' MET . 2.4 pt20 -75.22 161.82 75.53 Favored Pre-proline 0 N--CA 1.444 -0.738 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.641 176.1 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -56.5 103.77 0.13 Allowed 'Trans proline' 0 C--O 1.24 0.616 0 C-N-CA 122.156 1.904 . . . . 0.0 111.321 171.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 130.44 -3.5 5.83 Favored Glycine 0 C--N 1.315 -0.637 0 N-CA-C 111.707 -0.557 . . . . 0.0 111.707 -177.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.666 ' HE2' ' HG2' ' A' ' 23' ' ' GLN . 23.9 mmt -90.26 110.22 21.28 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.145 0.497 . . . . 0.0 111.266 179.105 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.434 ' HD2' ' OE1' ' A' ' 60' ' ' GLU . 26.2 mtm180 -71.51 148.17 47.02 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.751 0.786 . . . . 0.0 110.757 174.189 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.56 ' HB ' ' HB2' ' A' ' 73' ' ' LEU . 35.8 m -124.68 157.15 32.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.494 -176.214 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -127.92 130.29 48.23 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.13 0.491 . . . . 0.0 110.613 176.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.486 ' SD ' ' HB3' ' A' ' 72' ' ' MET . 13.6 tpt -72.19 120.13 17.36 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.102 -176.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.642 HD21 ' HB2' ' A' ' 74' ' ' GLU . 95.7 mt -84.13 -33.33 24.32 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.54 -176.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.437 ' O ' ' HG3' ' A' ' 30' ' ' MET . 37.1 t70 -123.64 157.99 32.55 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.393 -176.277 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.555 ' HA ' ' HA ' ' A' ' 38' ' ' SER . 5.8 p-10 -82.83 134.73 35.09 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -157.96 108.07 2.14 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.068 -176.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 63.0 -118.86 0.55 Allowed 'General case' 0 C--N 1.322 -0.598 0 O-C-N 124.32 1.012 . . . . 0.0 110.963 175.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -73.61 -25.96 60.56 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.415 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 23.5 mm -99.91 150.81 5.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 O-C-N 123.543 0.527 . . . . 0.0 111.04 -173.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.555 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 60.0 p -132.55 172.36 12.61 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -176.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.23 128.47 35.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.016 0.436 . . . . 0.0 110.72 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.66 -20.65 33.9 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.254 -0.974 . . . . 0.0 113.462 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -61.56 136.75 58.13 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.969 0.384 . . . . 0.0 110.629 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -109.85 147.01 34.1 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 120.961 0.41 . . . . 0.0 110.023 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.465 ' HA2' ' HG3' ' A' ' 60' ' ' GLU . . . -153.71 171.28 32.47 Favored Glycine 0 C--O 1.218 -0.897 0 C-N-CA 119.895 -1.145 . . . . 0.0 112.727 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -106.12 139.21 40.99 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 178.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -84.76 117.34 23.77 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -179.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.552 ' HD2' ' HB2' ' A' ' 58' ' ' PHE . 47.3 mtp85 -91.24 -51.19 5.43 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 119.929 -0.708 . . . . 0.0 110.648 179.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.5 HE21 ' HB3' ' A' ' 56' ' ' GLN . 0.7 OUTLIER 175.46 171.38 0.32 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.673 0.789 . . . . 0.0 109.459 178.197 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.469 ' HA ' ' HA ' ' A' ' 55' ' ' VAL . 9.1 p -116.75 155.94 28.04 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -179.087 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.41 ' C ' ' H ' ' A' ' 51' ' ' GLY . 79.9 m-20 -84.67 115.71 22.81 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 70.39 -9.62 0.75 Allowed 'General case' 0 C--O 1.237 0.401 0 C-N-CA 123.577 0.751 . . . . 0.0 111.163 -178.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.41 ' H ' ' C ' ' A' ' 49' ' ' ASN . . . 87.25 26.64 30.24 Favored Glycine 0 N--CA 1.437 -1.246 0 C-N-CA 120.49 -0.862 . . . . 0.0 111.33 177.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 1.113 ' HB ' ' HD2' ' A' ' 53' ' ' PRO . 13.2 m -117.44 -175.35 0.31 Allowed Pre-proline 0 N--CA 1.45 -0.465 0 CA-C-O 118.76 -0.638 . . . . 0.0 109.806 -179.122 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 1.113 ' HD2' ' HB ' ' A' ' 52' ' ' VAL . 2.9 Cg_exo -33.92 -49.1 0.55 Allowed 'Trans proline' 0 C--N 1.369 1.65 0 C-N-CA 124.005 3.137 . . . . 0.0 116.141 -179.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.567 ' HD2' HG23 ' A' ' 52' ' ' VAL . 16.2 Cg_endo -60.32 116.94 3.67 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 121.394 1.396 . . . . 0.0 112.584 174.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.503 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 13.7 p -129.54 139.88 50.55 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.414 -177.046 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.5 ' HB3' HE21 ' A' ' 47' ' ' GLN . 47.7 tt0 -100.62 115.98 31.47 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -177.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.6 t -124.01 131.11 73.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 O-C-N 124.243 0.964 . . . . 0.0 110.913 -173.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.552 ' HB2' ' HD2' ' A' ' 46' ' ' ARG . 79.4 t80 -88.05 117.96 27.28 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 176.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.437 ' HZ2' HG21 ' A' ' 68' ' ' VAL . 98.9 m95 -94.44 118.95 32.43 Favored 'General case' 0 C--N 1.31 -1.142 0 C-N-CA 120.326 -0.55 . . . . 0.0 111.456 -175.168 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.465 ' HG3' ' HA2' ' A' ' 43' ' ' GLY . 32.1 mt-10 -68.76 -47.37 66.39 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 124.552 1.157 . . . . 0.0 111.089 -173.042 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.7 p -61.66 -33.18 73.5 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.611 -176.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.9 m -85.4 -61.11 1.84 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.275 0.56 . . . . 0.0 110.138 176.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.04 11.65 12.12 Favored Glycine 0 C--N 1.31 -0.863 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.731 -177.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -132.33 155.49 48.29 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.45 ' HA ' ' HA ' ' A' ' 58' ' ' PHE . 19.4 m -92.97 148.34 22.08 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.831 177.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -150.24 147.72 28.02 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 122.03 -0.419 . . . . 0.0 110.881 -173.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.503 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 5.0 m-90 -90.14 117.6 29.03 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 175.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.448 HG12 ' H ' ' A' ' 69' ' ' HIS . 0.7 OUTLIER -119.02 -175.21 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.508 ' HB2' ' SD ' ' A' ' 72' ' ' MET . 21.8 m170 -105.28 139.81 39.37 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 170.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.552 ' HD1' ' HA ' ' A' ' 53' ' ' PRO . 86.5 m95 -47.13 -39.62 13.85 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 -176.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 -75.41 0.17 17.9 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.445 -0.502 . . . . 0.0 112.226 -174.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.508 ' SD ' ' HB2' ' A' ' 69' ' ' HIS . 0.8 OUTLIER -83.75 -28.7 28.02 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-O 121.21 0.529 . . . . 0.0 111.064 174.43 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.56 ' HB2' ' HB ' ' A' ' 28' ' ' VAL . 3.6 pp -105.42 146.84 28.94 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 121.209 0.528 . . . . 0.0 112.071 -171.207 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.642 ' HB2' HD21 ' A' ' 31' ' ' LEU . 43.2 tt0 -104.64 143.09 33.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 113.963 -1.471 . . . . 0.0 108.766 174.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.495 HD12 HD22 ' A' ' 22' ' ' LEU . 5.7 tt -91.48 109.18 20.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.092 0.472 . . . . 0.0 111.361 -176.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -94.67 -33.22 13.04 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 172.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.72 -174.04 36.64 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-N 114.912 -1.04 . . . . 0.0 113.831 174.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.428 ' C ' ' H ' ' A' ' 80' ' ' GLU . 44.9 t80 -148.49 126.89 12.29 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 175.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 72.75 -18.84 0.33 Allowed 'General case' 0 N--CA 1.467 0.408 0 O-C-N 124.366 1.041 . . . . 0.0 111.584 -178.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.513 ' HB2' ' CE ' ' A' ' 26' ' ' MET . 25.8 tp10 . . . . . 0 N--CA 1.444 -0.751 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 174.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.509 ' HB2' ' HG2' ' A' ' 7' ' ' GLU . 24.2 mmt . . . . . 0 CA--C 1.516 -0.358 0 CA-C-O 121.325 0.583 . . . . 0.0 111.091 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.402 ' O ' ' HA2' ' A' ' 11' ' ' GLY . 22.8 mtm180 -64.14 -34.05 77.17 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.542 0.687 . . . . 0.0 109.585 173.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 m -74.28 7.44 2.8 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 114.725 -1.125 . . . . 0.0 112.489 -175.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.509 ' HG2' ' HB2' ' A' ' 4' ' ' MET . 7.1 mm-40 -75.55 -12.13 60.16 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.934 0.873 . . . . 0.0 109.897 176.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.632 ' HB3' ' HB ' ' A' ' 13' ' ' THR . 62.7 m-85 -109.59 173.46 6.31 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 172.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.17 -48.26 80.84 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 123.677 0.611 . . . . 0.0 112.609 -170.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.7 m -107.84 4.23 25.25 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -172.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 5' ' ' ARG . . . 81.89 -57.91 4.93 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.629 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -62.93 -26.98 69.07 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 175.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.632 ' HB ' ' HB3' ' A' ' 8' ' ' PHE . 2.0 m -51.87 -27.57 13.2 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.011 176.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -63.64 -54.87 28.96 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.544 175.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.416 ' HA ' HG22 ' A' ' 18' ' ' VAL . . . -65.42 -22.34 66.76 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 122.7 0.4 . . . . 0.0 111.423 176.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.7 tp -72.23 -43.56 64.23 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -61.04 -48.22 82.77 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.876 -178.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.554 ' O ' ' HB3' ' A' ' 22' ' ' LEU . 28.4 m -61.07 -38.73 80.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.285 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -42.45 95.73 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 122.085 0.945 . . . . 0.0 109.626 175.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -64.59 -54.95 23.97 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.875 -176.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.8 m -90.92 -39.3 12.35 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -171.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.554 ' HB3' ' O ' ' A' ' 18' ' ' VAL . 54.3 tp -79.17 99.3 6.93 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.749 0.785 . . . . 0.0 109.852 -176.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.415 ' H ' ' HE2' ' A' ' 26' ' ' MET . 20.0 mt-30 -88.21 164.22 34.01 Favored Pre-proline 0 C--N 1.313 -1.012 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.746 -177.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.688 ' HA ' ' CD1' ' A' ' 45' ' ' PHE . 7.9 Cg_exo -71.05 99.62 0.9 Allowed 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.574 2.183 . . . . 0.0 112.299 178.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 147.69 -32.16 1.34 Allowed Glycine 0 C--O 1.222 -0.595 0 CA-C-N 115.65 -0.705 . . . . 0.0 112.127 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.415 ' HE2' ' H ' ' A' ' 23' ' ' GLN . 69.1 mtm -76.51 160.83 29.13 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.38 0.61 . . . . 0.0 112.567 -177.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.608 ' HG2' HD21 ' A' ' 76' ' ' LEU . 21.9 ttm105 -80.46 146.77 31.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.967 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.411 HG21 HG11 ' A' ' 57' ' ' VAL . 23.8 m -124.79 151.02 29.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-O 121.757 0.789 . . . . 0.0 109.277 -178.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.516 ' CZ ' ' HA2' ' A' ' 40' ' ' GLY . 2.7 tmt_? -117.14 126.98 53.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.045 177.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.567 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . 12.6 tpt -80.23 109.78 15.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.056 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.567 ' CD2' ' HB2' ' A' ' 74' ' ' GLU . 0.3 OUTLIER -96.38 4.81 51.97 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -175.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.483 ' HB3' ' SD ' ' A' ' 72' ' ' MET . 2.1 t0 -145.45 170.0 17.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 121.913 -0.492 . . . . 0.0 111.445 -176.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -102.02 126.57 48.98 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -156.0 99.24 1.95 Allowed 'General case' 0 C--O 1.22 -0.452 0 C-N-CA 120.037 -0.665 . . . . 0.0 111.552 -176.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 55.57 -105.57 0.28 Allowed 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 114.835 -1.075 . . . . 0.0 112.258 172.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -64.35 -36.05 82.88 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.897 -177.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.515 HG22 ' HG2' ' A' ' 30' ' ' MET . 25.6 mm -109.96 153.97 11.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-O 121.217 0.532 . . . . 0.0 109.978 -171.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.8 t -125.3 164.6 20.01 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.092 -177.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.52 130.3 43.18 Favored 'General case' 0 C--O 1.249 1.047 0 CA-C-O 120.879 0.371 . . . . 0.0 110.256 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.516 ' HA2' ' CZ ' ' A' ' 29' ' ' ARG . . . 107.09 -14.43 40.41 Favored Glycine 0 N--CA 1.431 -1.693 0 C-N-CA 121.214 -0.517 . . . . 0.0 112.566 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -71.29 151.7 43.97 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.993 -0.71 . . . . 0.0 110.309 176.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -129.7 155.79 45.33 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.285 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.557 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -160.82 -174.88 31.21 Favored Glycine 0 N--CA 1.434 -1.477 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.591 -178.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -123.6 141.4 52.05 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 124.294 0.644 . . . . 0.0 109.609 -177.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.688 ' CD1' ' HA ' ' A' ' 24' ' ' PRO . 7.0 t80 -82.28 115.18 21.23 Favored 'General case' 0 C--O 1.244 0.793 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -174.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -84.27 -53.54 5.41 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 121.679 -0.638 . . . . 0.0 110.328 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -173.2 164.93 4.84 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.284 -176.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.526 ' HB3' ' HZ ' ' A' ' 45' ' ' PHE . 21.4 p -132.51 163.87 27.86 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 120.761 0.315 . . . . 0.0 110.291 -178.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.51 129.27 34.97 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 174.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -78.95 11.02 2.91 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.879 -1.055 . . . . 0.0 113.084 -167.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -154.54 -22.68 0.04 OUTLIER Glycine 0 C--N 1.339 0.725 0 C-N-CA 120.123 -1.037 . . . . 0.0 112.923 177.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.481 HG23 ' HG2' ' A' ' 54' ' ' PRO . 16.1 m -118.7 159.13 45.42 Favored Pre-proline 0 N--CA 1.444 -0.768 0 O-C-N 122.477 -0.425 . . . . 0.0 111.282 -178.176 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.561 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 52.3 Cg_exo -50.45 -49.4 16.65 Favored 'Trans proline' 0 CA--C 1.549 1.245 0 C-N-CA 124.171 3.248 . . . . 0.0 115.11 -174.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 53' ' ' PRO . 0.9 OUTLIER -42.42 123.79 2.91 Favored 'Trans proline' 0 C--N 1.366 1.471 0 C-N-CA 122.949 2.433 . . . . 0.0 113.858 -175.076 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.635 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 5.6 p -129.29 137.25 57.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.582 179.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -96.66 107.49 19.94 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.815 0.341 . . . . 0.0 110.594 -174.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.411 HG11 HG21 ' A' ' 28' ' ' VAL . 72.8 t -122.26 136.58 58.66 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.172 0 CA-C-N 116.74 -0.209 . . . . 0.0 110.498 -178.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -93.83 116.82 29.32 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 176.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.567 ' CZ3' ' HB2' ' A' ' 30' ' ' MET . 98.2 m95 -90.21 110.36 21.4 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 121.729 0.776 . . . . 0.0 110.631 -177.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.545 ' HG3' ' HA2' ' A' ' 43' ' ' GLY . 41.1 mt-10 -73.31 -34.17 65.56 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.057 -170.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 45.5 t -62.75 -33.62 75.53 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.639 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.5 m -96.88 -48.84 5.28 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.27 -178.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.77 19.52 9.62 Favored Glycine 0 N--CA 1.451 -0.315 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 178.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -132.17 148.56 52.47 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 122.419 -0.459 . . . . 0.0 110.447 -177.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.94 142.62 32.28 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.606 171.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -148.74 146.29 28.02 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.635 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 24.1 m-90 -92.62 114.53 27.11 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 176.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.566 HG12 ' H ' ' A' ' 69' ' ' HIS . 1.0 OUTLIER -101.64 -156.39 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.306 -1.306 0 C-N-CA 123.723 0.809 . . . . 0.0 109.795 -172.26 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.566 ' H ' HG12 ' A' ' 68' ' ' VAL . 73.5 m-70 -137.88 135.52 36.22 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 -170.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -48.74 -50.25 34.62 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 26.5 p80 -68.29 -11.11 58.9 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.69 -0.631 . . . . 0.0 111.658 -177.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.483 ' SD ' ' HB3' ' A' ' 32' ' ' ASP . 47.9 tpp -95.51 -10.94 28.35 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -176.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.1 mt -103.94 132.83 49.81 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 120.891 -0.324 . . . . 0.0 111.551 -173.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.567 ' HB2' ' CD2' ' A' ' 31' ' ' LEU . 37.6 tt0 -109.04 145.63 35.28 Favored 'General case' 0 C--O 1.225 -0.211 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 171.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.8 tt -107.14 121.65 60.26 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.127 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.712 -179.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.927 HD12 ' HB2' ' A' ' 79' ' ' GLU . 0.5 OUTLIER -87.23 -18.37 30.43 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 119.991 -0.683 . . . . 0.0 110.614 178.238 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.62 76.94 0.8 Allowed Glycine 0 CA--C 1.508 -0.381 0 C-N-CA 120.141 -1.028 . . . . 0.0 111.685 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 63.39 -90.31 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.275 0.63 . . . . 0.0 112.176 -176.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.927 ' HB2' HD12 ' A' ' 76' ' ' LEU . 32.4 mt-10 43.25 59.43 2.96 Favored 'General case' 0 C--O 1.247 0.94 0 CA-C-O 121.731 0.777 . . . . 0.0 111.557 -176.2 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 . . . . . 0 C--N 1.329 -0.309 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -176.332 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 79.8 mtp . . . . . 0 C--O 1.214 -0.793 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.459 ' HA ' ' HD2' ' A' ' 5' ' ' ARG . 20.0 tpt180 -67.35 -30.02 69.72 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.641 0.734 . . . . 0.0 110.313 177.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.637 ' O ' ' HA2' ' A' ' 11' ' ' GLY . 19.8 m -81.92 14.78 2.56 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.433 178.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -76.65 14.91 0.71 Allowed 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -177.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.424 ' HB3' ' HB ' ' A' ' 13' ' ' THR . 62.0 m-85 -57.32 -179.78 0.04 OUTLIER 'General case' 0 C--O 1.243 0.76 0 CA-C-O 120.773 0.321 . . . . 0.0 111.269 178.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -45.94 -45.52 15.56 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.726 0.811 . . . . 0.0 113.016 -169.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.5 t -127.15 11.69 7.04 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.29 0.567 . . . . 0.0 109.832 176.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.637 ' HA2' ' O ' ' A' ' 6' ' ' SER . . . 77.48 -49.94 3.11 Favored Glycine 0 CA--C 1.51 -0.231 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.399 -178.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.7 p30 -58.5 -24.4 60.39 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 177.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.424 ' HB ' ' HB3' ' A' ' 8' ' ' PHE . 2.8 m -55.6 -29.53 59.28 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 120.754 0.312 . . . . 0.0 110.926 175.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -61.99 -42.61 99.33 Favored 'General case' 0 C--O 1.213 -0.826 0 CA-C-O 121.135 0.493 . . . . 0.0 109.987 176.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.77 -31.24 72.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.826 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 68.3 tp -73.72 -45.33 52.78 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 121.259 0.552 . . . . 0.0 110.215 177.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -56.15 -53.94 51.14 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.885 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.41 HG12 HD13 ' A' ' 75' ' ' ILE . 22.3 m -63.79 -43.31 97.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -178.26 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -69.53 -22.65 63.56 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 118.151 0.432 . . . . 0.0 111.046 -176.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -66.39 -44.96 81.64 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.777 178.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.2 t -94.03 -28.47 15.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.676 -175.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.644 HD22 HG22 ' A' ' 75' ' ' ILE . 16.9 tp -77.54 97.64 5.1 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.477 0.656 . . . . 0.0 111.037 -174.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -93.09 154.75 41.63 Favored Pre-proline 0 N--CA 1.446 -0.636 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.521 178.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -49.18 120.77 5.96 Favored 'Trans proline' 0 C--O 1.246 0.878 0 C-N-CA 122.948 2.432 . . . . 0.0 111.81 173.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.65 -12.01 20.96 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.643 -0.789 . . . . 0.0 111.798 -176.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.459 ' SD ' ' HA2' ' A' ' 77' ' ' GLY . 49.2 mtt -89.1 123.27 33.22 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.322 0.582 . . . . 0.0 111.312 172.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 37.9 mtm180 -77.43 149.02 35.15 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.986 0.898 . . . . 0.0 111.804 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.9 m -122.08 161.75 22.46 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.519 0 CA-C-N 114.452 -1.249 . . . . 0.0 111.991 -177.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.453 ' HB2' HD21 ' A' ' 76' ' ' LEU . 45.0 ttm-85 -123.09 136.68 54.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.179 176.134 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.545 ' HG2' HG22 ' A' ' 37' ' ' ILE . 15.0 tpt -89.07 125.75 35.15 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.913 -0.492 . . . . 0.0 110.42 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 31' ' ' LEU . 4.1 mm? -112.7 -3.58 14.23 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.371 -175.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -124.0 163.55 21.17 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 118.209 0.459 . . . . 0.0 110.52 -176.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -88.59 118.87 28.55 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 176.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.45 ' HB2' ' CE ' ' A' ' 30' ' ' MET . 5.9 t80 -127.49 178.97 5.74 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.441 -174.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 1.4 mp0 -70.03 91.72 0.7 Allowed 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.795 -176.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.472 ' HB2' ' O ' ' A' ' 35' ' ' GLU . 42.7 mt-10 95.84 -26.61 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.574 0 O-C-N 124.91 1.381 . . . . 0.0 110.153 175.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.545 HG22 ' HG2' ' A' ' 30' ' ' MET . 42.5 mm -97.78 144.95 10.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 177.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.7 m -132.35 174.87 9.8 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 -175.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.3 131.86 46.58 Favored 'General case' 0 N--CA 1.436 -1.131 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.106 -178.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.5 -18.76 37.77 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.762 178.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -63.16 136.89 58.02 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 117.518 0.659 . . . . 0.0 110.939 177.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 42.0 mt-10 -104.63 142.32 34.88 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.942 176.241 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -143.14 162.2 27.55 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 119.578 -1.296 . . . . 0.0 112.371 -178.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -103.03 135.76 44.12 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -88.78 114.12 25.06 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 -177.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -83.54 -56.43 3.74 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.453 -177.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -178.35 172.54 1.49 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.843 -172.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.5 m -125.89 148.43 49.19 Favored 'General case' 0 C--O 1.248 1.003 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.51 HD22 ' N ' ' A' ' 49' ' ' ASN . 0.1 OUTLIER -171.99 178.96 2.81 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 123.579 0.549 . . . . 0.0 111.174 -177.022 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.9 m120 74.57 -19.19 0.38 Allowed 'General case' 0 CA--C 1.521 -0.164 0 O-C-N 123.976 0.798 . . . . 0.0 112.002 177.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.88 -63.09 0.57 Allowed Glycine 0 C--O 1.236 0.237 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.831 171.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.72 ' HB ' ' HD2' ' A' ' 53' ' ' PRO . 5.8 m -65.35 166.04 15.45 Favored Pre-proline 0 C--O 1.221 -0.402 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -175.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.72 ' HD2' ' HB ' ' A' ' 52' ' ' VAL . 2.1 Cg_endo -40.01 -40.87 2.82 Favored 'Trans proline' 0 CA--C 1.546 1.108 0 C-N-CA 124.446 3.43 . . . . 0.0 117.936 -175.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.578 ' HG2' HG23 ' A' ' 52' ' ' VAL . 3.9 Cg_endo -44.8 142.32 5.16 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 121.58 1.52 . . . . 0.0 114.352 178.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.685 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 12.6 p -133.14 141.31 45.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-N 114.174 -1.375 . . . . 0.0 108.697 -174.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.416 ' HA ' ' OE1' ' A' ' 56' ' ' GLN . 6.1 tp60 -92.32 108.13 19.73 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.422 -176.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 98.9 t -124.87 136.53 60.51 Favored 'Isoleucine or valine' 0 C--O 1.241 0.635 0 CA-C-O 121.395 0.616 . . . . 0.0 110.4 -175.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.427 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 82.3 t80 -93.2 118.76 31.61 Favored 'General case' 0 N--CA 1.44 -0.933 0 O-C-N 121.865 -0.522 . . . . 0.0 110.645 175.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.522 ' HZ2' HG21 ' A' ' 68' ' ' VAL . 95.6 m95 -95.74 114.36 26.09 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.118 0.485 . . . . 0.0 109.807 -178.075 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 8.5 pt-20 -72.82 -29.82 63.55 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.976 -170.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.2 p -61.95 -35.42 78.4 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 124.055 0.847 . . . . 0.0 111.703 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.7 p -104.25 -25.66 12.8 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.66 178.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.24 16.91 65.83 Favored Glycine 0 CA--C 1.521 0.424 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.855 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -117.46 143.0 46.47 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-O 120.956 0.407 . . . . 0.0 110.807 -176.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 58' ' ' PHE . 16.3 p -83.85 143.25 30.04 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.005 169.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.412 ' HE2' ' CE2' ' A' ' 34' ' ' TYR . 27.3 t80 -153.95 147.69 25.32 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.433 0.159 . . . . 0.0 111.116 -177.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.685 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 24.5 m-90 -91.17 115.03 27.7 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 179.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.536 HG12 ' H ' ' A' ' 69' ' ' HIS . 2.0 t -116.87 -179.61 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -177.585 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.599 ' O ' ' HG2' ' A' ' 72' ' ' MET . 14.8 m-70 -109.18 138.35 45.66 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.634 175.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 64.9 m95 -51.33 -38.9 55.5 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -177.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.421 ' HD2' ' HB3' ' A' ' 69' ' ' HIS . 2.9 p80 -69.67 -4.88 21.45 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -168.234 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.599 ' HG2' ' O ' ' A' ' 69' ' ' HIS . 5.1 ptm -120.42 11.91 11.53 Favored 'General case' 0 C--O 1.24 0.577 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.953 -177.189 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.8 mp -117.0 145.5 43.63 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.125 0.488 . . . . 0.0 110.231 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -102.43 139.61 37.8 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 172.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.644 HG22 HD22 ' A' ' 22' ' ' LEU . 21.8 pt -99.08 130.44 48.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -176.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.453 HD21 ' HB2' ' A' ' 29' ' ' ARG . 3.7 mm? -98.46 -9.04 25.71 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.378 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.459 ' HA2' ' SD ' ' A' ' 26' ' ' MET . . . 66.46 -151.01 52.17 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.194 -178.132 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.415 ' HB2' ' HG2' ' A' ' 26' ' ' MET . 72.0 t80 -153.5 -55.88 0.12 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 117.352 0.576 . . . . 0.0 110.693 176.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -83.01 -22.09 33.7 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 . . . . . 0 C--N 1.312 -1.03 0 C-N-CA 124.145 0.978 . . . . 0.0 111.053 -177.301 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.584 ' O ' ' HG3' ' A' ' 7' ' ' GLU . 1.5 pmm? . . . . . 0 C--O 1.218 -0.578 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.441 ' HA ' ' HD2' ' A' ' 5' ' ' ARG . 20.3 tpt180 -57.76 -25.91 61.13 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.425 -179.639 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.754 ' O ' ' HA2' ' A' ' 11' ' ' GLY . 15.7 m -66.51 16.86 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -177.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.584 ' HG3' ' O ' ' A' ' 4' ' ' MET . 50.0 mt-10 -67.95 16.42 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 179.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.416 ' H ' ' C ' ' A' ' 6' ' ' SER . 66.0 m-85 -76.27 178.49 6.43 Favored 'General case' 0 C--O 1.245 0.831 0 O-C-N 121.939 -0.476 . . . . 0.0 111.518 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.98 -47.77 67.95 Favored 'General case' 0 C--O 1.241 0.635 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -171.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.3 m -106.87 -1.24 22.62 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 178.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.754 ' HA2' ' O ' ' A' ' 6' ' ' SER . . . 75.82 -60.41 2.97 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-O 121.324 0.402 . . . . 0.0 112.598 -177.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.4 p30 -59.3 -23.44 62.44 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 123.257 0.623 . . . . 0.0 111.969 177.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 m -51.35 -33.46 29.64 Favored 'General case' 0 C--N 1.343 0.302 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -177.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -62.4 -43.46 98.77 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' ' 19' ' ' ARG . . . -67.77 -25.33 65.55 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 114.801 -1.09 . . . . 0.0 111.134 178.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 36.1 tp -75.76 -49.66 17.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.162 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -56.97 -55.3 36.42 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.365 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.674 ' HB ' HD11 ' A' ' 75' ' ' ILE . 34.2 m -59.48 -35.89 61.42 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.508 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.794 -179.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 36.2 ttm180 -52.87 -40.68 63.63 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -179.094 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -63.36 -42.72 98.91 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 121.37 0.605 . . . . 0.0 111.009 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.1 m -79.42 -25.22 42.08 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.58 0.705 . . . . 0.0 110.69 -177.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.655 HD12 ' HB2' ' A' ' 26' ' ' MET . 30.1 tp -80.15 88.86 5.42 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-O 121.488 0.661 . . . . 0.0 110.984 -174.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.708 ' N ' HE21 ' A' ' 23' ' ' GLN . 0.0 OUTLIER -94.51 158.58 35.33 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.72 173.256 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -53.23 115.58 2.38 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.054 1.836 . . . . 0.0 111.695 173.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.62 -17.67 10.18 Favored Glycine 0 N--CA 1.449 -0.446 0 O-C-N 123.681 0.613 . . . . 0.0 111.72 -176.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.655 ' HB2' HD12 ' A' ' 22' ' ' LEU . 17.3 mmt -71.11 133.7 46.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.157 0.503 . . . . 0.0 111.253 176.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.421 ' HA ' ' HA ' ' A' ' 44' ' ' GLU . 2.5 mpt_? -83.55 148.05 27.42 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.107 174.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.8 m -125.59 156.09 35.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -177.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -115.8 122.85 46.68 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 124.281 0.988 . . . . 0.0 109.45 177.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.504 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 9.9 tpt -74.57 119.23 18.48 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.641 HD11 ' HB2' ' A' ' 74' ' ' GLU . 96.2 mt -94.05 -18.62 21.64 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -174.26 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.429 ' O ' ' HE3' ' A' ' 30' ' ' MET . 15.8 t70 -133.38 154.52 50.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.59 -0.694 . . . . 0.0 110.25 -175.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -85.11 127.83 34.4 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.46 ' HB2' ' HE1' ' A' ' 72' ' ' MET . 87.0 t80 -149.32 100.34 3.01 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.35 0.595 . . . . 0.0 110.22 -173.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 47.91 -107.11 0.18 Allowed 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 114.316 -1.311 . . . . 0.0 112.473 -178.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -66.19 -33.7 76.35 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.816 -175.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.491 HG22 ' HG2' ' A' ' 30' ' ' MET . 18.0 mm -100.56 150.7 5.48 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 O-C-N 122.177 -0.327 . . . . 0.0 110.665 -172.078 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.7 m -122.95 166.71 14.62 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.653 -178.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.82 127.81 34.17 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.54 -19.13 39.96 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.879 -0.677 . . . . 0.0 113.134 -179.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -63.82 141.69 58.68 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 122.489 -0.418 . . . . 0.0 111.009 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -104.32 147.05 27.95 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.434 0.635 . . . . 0.0 111.094 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -151.52 -178.68 26.52 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.846 177.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.421 ' HA ' ' HA ' ' A' ' 27' ' ' ARG . 42.9 tt0 -130.78 147.4 52.44 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.902 0.382 . . . . 0.0 110.158 177.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.41 ' HE1' HG23 ' A' ' 55' ' ' VAL . 74.9 t80 -91.54 124.13 35.48 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -177.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.742 ' HD2' ' HB2' ' A' ' 58' ' ' PHE . 52.8 mtp85 -103.18 -44.17 5.27 Favored 'General case' 0 C--N 1.318 -0.794 0 O-C-N 123.486 0.491 . . . . 0.0 111.587 -177.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.506 HE21 ' HB3' ' A' ' 56' ' ' GLN . 0.8 OUTLIER -178.32 169.08 1.86 Allowed 'General case' 0 C--O 1.234 0.285 0 O-C-N 124.056 0.847 . . . . 0.0 110.732 179.104 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.538 ' HB3' HG23 ' A' ' 55' ' ' VAL . 58.0 p -165.86 -173.1 2.56 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.865 -174.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -97.92 -170.85 2.05 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 176.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -60.17 -36.65 78.07 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.669 0.668 . . . . 0.0 112.618 -173.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.13 -11.24 0.04 OUTLIER Glycine 0 CA--C 1.526 0.729 0 C-N-CA 120.356 -0.926 . . . . 0.0 113.521 -175.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.627 HG12 ' HD2' ' A' ' 54' ' ' PRO . 25.9 t -57.45 138.88 81.14 Favored Pre-proline 0 CA--C 1.546 0.797 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 172.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -26.8 -52.75 0.1 Allowed 'Trans proline' 0 CA--C 1.558 1.717 1 C-N-CA 126.093 4.529 . . . . 0.0 116.738 -176.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.627 ' HD2' HG12 ' A' ' 52' ' ' VAL . 30.5 Cg_endo -62.3 113.99 2.15 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 121.214 1.276 . . . . 0.0 113.469 -172.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.565 ' O ' ' HA ' ' A' ' 67' ' ' TRP . 7.9 p -125.72 134.85 65.66 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.81 176.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.506 ' HB3' HE21 ' A' ' 47' ' ' GLN . 8.5 tt0 -98.15 113.18 25.0 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.317 0.579 . . . . 0.0 110.354 -175.407 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.0 t -119.36 131.86 70.82 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.549 -177.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.742 ' HB2' ' HD2' ' A' ' 46' ' ' ARG . 69.3 t80 -84.28 103.71 13.7 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.477 175.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.504 ' CH2' ' HB2' ' A' ' 30' ' ' MET . 99.1 m95 -85.99 116.61 24.32 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 -177.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.96 -12.22 59.73 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.283 0.564 . . . . 0.0 110.03 -174.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 31.4 t -67.43 -43.77 80.39 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.147 174.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.4 p -96.51 -21.34 17.76 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.502 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.01 28.86 48.63 Favored Glycine 0 CA--C 1.502 -0.722 0 C-N-CA 120.47 -0.871 . . . . 0.0 113.115 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -152.08 165.63 34.12 Favored 'General case' 0 C--O 1.242 0.665 0 O-C-N 122.471 -0.429 . . . . 0.0 111.423 -175.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.412 HG23 ' HD1' ' A' ' 58' ' ' PHE . 1.3 p -86.78 150.17 24.34 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.909 178.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.402 ' HB3' ' CD1' ' A' ' 59' ' ' TRP . 74.8 t80 -152.45 145.72 24.72 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.673 -179.027 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.565 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 27.0 m-90 -96.43 115.9 28.19 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-O 121.137 0.494 . . . . 0.0 109.831 178.342 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.441 ' O ' HG12 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -113.96 -178.32 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 -177.311 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.601 ' O ' ' HG2' ' A' ' 72' ' ' MET . 39.8 m-70 -98.55 133.41 42.95 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 173.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 83.9 m95 -44.41 -50.44 9.27 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -70.29 -0.09 7.39 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -167.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.601 ' HG2' ' O ' ' A' ' 69' ' ' HIS . 14.9 ptm -113.48 10.71 18.26 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.927 0.785 . . . . 0.0 113.074 -174.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.474 ' N ' HD13 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -130.26 159.58 36.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.348 0.594 . . . . 0.0 112.065 173.303 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.641 ' HB2' HD11 ' A' ' 31' ' ' LEU . 45.1 tt0 -112.12 157.13 21.18 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.079 -179.037 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.674 HD11 ' HB ' ' A' ' 18' ' ' VAL . 29.2 mm -85.61 123.4 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.441 -179.344 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.2 mt -99.84 -15.62 18.34 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 121.497 0.665 . . . . 0.0 109.886 172.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.651 ' HA2' ' SD ' ' A' ' 26' ' ' MET . . . 62.82 -142.76 48.07 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 114.857 -1.065 . . . . 0.0 112.482 178.037 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -112.05 16.3 20.28 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-O 121.09 0.472 . . . . 0.0 109.925 174.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -70.33 -28.51 65.21 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.926 173.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 . . . . . 0 C--N 1.318 -0.783 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.358 176.637 . . . . . . . . 0 0 . 1 stop_ save_